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Search results for: '4949-44-4'
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YK-4-279
Cas Number: 1037184-44-3Formula: C17H13Cl2NO4Molecular weight: 366.2Synonyms: YK-4-279|1037184-44-3|4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one|4,7-dic...SMILES: COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)OInChIKey: HLXSCTYHLQHQDJ-UHFFFAOYSA-NInChI: InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
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Dabigatran-d3
Cas Number: 1246817-44-6Formula: C25H22D3N7O3Molecular weight: 474.53Synonyms: HY-10163S1 | Dabigatran-d3 | N-{2-[(4-Carbamimidoylanilino)methyl]-1-(~2~H_3_)methyl-1H-benzimidazol...SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)NInChIKey: YBSJFWOBGCMAKL-FIBGUPNXSA-NInChI: InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)/i1D3
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5-Chloro-2-methyl-3-nitroaniline
Cas Number: 219312-44-4Formula: C7H7ClN2O2Molecular weight: 186.6Synonyms: 5-chloro-2-methyl-3-nitroaniline|219312-44-4|2-Amino-4-chloro-6-nitrotoluene|MFCD01109853|SCHEMBL361...SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])Cl)NInChIKey: KBFNZWHWSZUQNI-UHFFFAOYSA-NInChI: InChI=1S/C7H7ClN2O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,9H2,1H3
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2,2′-Dinitro-4,4′-stilbenedicarboxylic acid
Cas Number: 1202689-44-8Formula: C16H10N2O8Molecular weight: 358.26Synonyms: MFCD16621477 | 1275552-66-3 | DTXSID60728637 | 4,4'-(1E)-1,2-Ethenediylbis[3-nitrobenzoic acid] | 12...SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C=CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]InChIKey: LSIRFWJQXQJPKC-OWOJBTEDSA-NInChI: InChI=1S/C16H10N2O8/c19-15(20)11-5-3-9(13(7-11)17(23)24)1-2-10-4-6-12(16(21)22)8-14(10)18(25)26/h1-8H,(H,19,20)(H,21,22)/b2-1+
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2-[[(rel-(1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfanyl]-1,3-benzothiazole
Cas Number: 2691954-44-4Formula: C13H14N2S2Molecular weight: 262.39Synonyms: 2691954-44-4 | 2-[[(rel-(1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfanyl]-1,3-benzothiazole |...SMILES: C1C2C(C2CSC3=NC4=CC=CC=C4S3)CN1InChIKey: OLZCMWVCKAXSGQ-ULKQDVFKSA-NInChI: InChI=1S/C13H14N2S2/c1-2-4-12-11(3-1)15-13(17-12)16-7-10-8-5-14-6-9(8)10/h1-4,8-10,14H,5-7H2/t8-,9+,10?
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UNC669
Cas Number: 1314241-44-5Formula: C15H20BrN3OMolecular weight: 338.24Synonyms: 1314241-44-5|UNC669|UNC 669|(5-bromopyridin-3-yl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone|UNC-66...SMILES: C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)BrInChIKey: CQERVFFAOOUFEQ-UHFFFAOYSA-NInChI: InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
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O1-tert-butyl O2-methyl (2R,4S)-4-benzyloxypyrrolidine-1,2-dicarboxylate
Cas Number: 1610036-44-6Formula: C18H25NO5Molecular weight: 335.39Synonyms: 1610036-44-6 | O1-tert-butyl O2-methyl (2R,4S)-4-benzyloxypyrrolidine-1,2-dicarboxylate | 1-(tert-Bu...SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)OCC2=CC=CC=C2InChIKey: AXXKODYHGLJTHX-LSDHHAIUSA-NInChI: InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-11-14(10-15(19)16(20)22-4)23-12-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3/t14-,15+/m0/s1
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cis-2,6-dimethyl-4-({4-[(E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl}methyl)morpholine
Cas Number: 1247001-44-0Formula: C21H32BNO3Molecular weight: 357.3Synonyms: 1247001-44-0 | cis-2,6-dimethyl-4-({4-[(E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl}met...SMILES: B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=C(C=C2)CN3CC(OC(C3)C)CInChIKey: DDBGHPZIERQRNE-PPVVZDBHSA-NInChI: InChI=1S/C21H32BNO3/c1-16-13-23(14-17(2)24-16)15-19-9-7-18(8-10-19)11-12-22-25-20(3,4)21(5,6)26-22/h7-12,16-17H,13-15H2,1-6H3/b12-11+/t16-,17+
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TAK-285, Epidermal growth factor receptor erbB1 inhibitor
Cas Number: 871026-44-7Formula: C26H25ClF3N5O3Molecular weight: 547.96Synonyms: TAK-285|871026-44-7|TAK285|TAK 285|N-(2-(4-(3-CHLORO-4-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYLAMINO)-5H-P...SMILES: CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)OInChIKey: ZYQXEVJIFYIBHZ-UHFFFAOYSA-NInChI: InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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tert-butyl (3R,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
Synonyms: 1174020-43-9|(3R,4R)-tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate|tert-butyl (3R,4R)-3-fluo...SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)F)OInChIKey: XRNLYXKYODGLMI-HTQZYQBOSA-NInChI: InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1
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BOS172722
Cas Number: 1578245-44-9Formula: C24H30N8OMolecular weight: 446.55Synonyms: BOS-172722|1578245-44-9|BOS172722|N2-(2-Ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-6-methyl-N8...SMILES: CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)CInChIKey: SGWLRDAOCLITOM-UHFFFAOYSA-NInChI: InChI=1S/C24H30N8O/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30)
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5-Fluoro-2-methyl-3-nitroaniline
Cas Number: 168770-44-3Formula: C7H7FN2O2Molecular weight: 170.14Synonyms: 5-Fluoro-2-methyl-3-nitroaniline|168770-44-3|Benzenamine, 5-fluoro-2-methyl-3-nitro-|5-FLUORO-3-NITR...SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])F)NInChIKey: XWXBFFACZMFPHH-UHFFFAOYSA-NInChI: InChI=1S/C7H7FN2O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,9H2,1H3
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Ethyl (S)-1-Boc-4-oxopiperidine-2-carboxylate
Cas Number: 180854-44-8Formula: C13H21NO5Molecular weight: 271.31Synonyms: 180854-44-8|(S)-1-tert-Butyl 2-ethyl 4-oxopiperidine-1,2-dicarboxylate|Ethyl (S)-1-Boc-4-oxopiperidi...SMILES: CCOC(=O)C1CC(=O)CCN1C(=O)OC(C)(C)CInChIKey: YAVQLRUBKDCOCI-JTQLQIEISA-NInChI: InChI=1S/C13H21NO5/c1-5-18-11(16)10-8-9(15)6-7-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-/m0/s1
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tert-Butyl (4-(hydroxymethyl)thiazol-2-yl)carbamate
Synonyms: 494769-44-7|(4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester|tert-butyl (4-(hydroxymethyl...SMILES: CC(C)(C)OC(=O)NC1=NC(=CS1)COInChIKey: OWLBQQTUOQLZST-UHFFFAOYSA-NInChI: InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h5,12H,4H2,1-3H3,(H,10,11,13)
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6-(4-Methoxyphenyl)-2-methyl-3,7-dihydroimidazo[1,2-a]pyrazin-3(7H)-one hydrochloride
Cas Number: 128322-44-1Formula: C14H13N3O2 · HClMolecular weight: 291.73Synonyms: 128322-44-1|MCLA|6-(4-Methoxyphenyl)-2-methylimidazo[1,2-a]pyrazin-3(7H)-one hydrochloride|MCLA hydr...SMILES: CC1=C(N2C=C(N=CC2=N1)C3=CC=C(C=C3)OC)O.ClInChIKey: MXZACTZQSGYANA-UHFFFAOYSA-NInChI: InChI=1S/C14H13N3O2.ClH/c1-9-14(18)17-8-12(15-7-13(17)16-9)10-3-5-11(19-2)6-4-10;/h3-8,18H,1-2H3;1H
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Pipemidic acid
Cas Number: 51940-44-4 EC Number: 257-530-2Formula: C14H17N5O3Molecular weight: 303.32Synonyms: pipemidic acid|51940-44-4|Pipedac|Deblaston|Pipemid|Pipram|Acido pipemidico|Dolcol|Acide pipemidique...SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)OInChIKey: JOHZPMXAZQZXHR-UHFFFAOYSA-NInChI: InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
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Sophocarpine
Cas Number: 145572-44-7Formula: C15H22N2OMolecular weight: 246.35Synonyms: Sophocarpine|6483-15-4|145572-44-7|13,14-Didehydromatridin-15-one|Sophocarpine Monohydrate|(-)-Sopho...SMILES: C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4InChIKey: AAGFPTSOPGCENQ-JLNYLFASSA-NInChI: InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1
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6-Methyl-2,4-dihydroxyquinoline
Cas Number: 1677-44-7Formula: C10H9NO2Molecular weight: 175.2Synonyms: 6-Methyl-2,4-dihydroxyquinoline|1677-44-7|6-methylquinoline-2,4-diol|4-Hydroxy-6-methyl-1H-quinolin-...SMILES: CC1=CC2=C(C=C1)NC(=O)C=C2OInChIKey: OXSZQTDCCMODLE-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)9(12)5-10(13)11-8/h2-5H,1H3,(H2,11,12,13)
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Nerolidol (cis- and trans- mixture)
Formula: C15H26OMolecular weight: 222.37Synonyms: NEROLIDOL|7212-44-4|trans-Nerolidol|40716-66-3|3,7,11-Trimethyldodeca-1,6,10-trien-3-ol|(6E)-3,7,11-...SMILES: CC(=CCCC(=CCCC(C)(C=C)O)C)CInChIKey: FQTLCLSUCSAZDY-SDNWHVSQSA-NInChI: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
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N-Phthaloyl-DL-methionine
Cas Number: 52881-96-6Formula: C13H13NO4SMolecular weight: 279.31Synonyms: N-Phthaloyl-DL-methionine|5464-44-8|52881-96-6|TCMDC-125514|2-(1,3-dioxoisoindol-2-yl)-4-methylsulfa...SMILES: CSCCC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=OInChIKey: VMTKJVHNTIEOCU-UHFFFAOYSA-NInChI: InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
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cis-3-(benzyloxycarbonylamino)cyclopentanecarboxylic acid
Cas Number: 19946-44-2 EC Number: 938-026-8Formula: C14H17NO4Molecular weight: 263.29Synonyms: 1380486-21-4 | (1S,3R)-3-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylic acid | 19946-44-2 | C...SMILES: C1CC(CC1C(=O)O)NC(=O)OCC2=CC=CC=C2InChIKey: DEHMZYGMZLWARX-NWDGAFQWSA-NInChI: InChI=1S/C14H17NO4/c16-13(17)11-6-7-12(8-11)15-14(18)19-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,18)(H,16,17)/t11-,12+/m0/s1
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CDK2-IN-73 (CDK2-IN-4)
Cas Number: 2079895-42-2Formula: C23H18N6O2SMolecular weight: 442.49Synonyms: CDK2 inhibitor 73Benzenesulfonamide,4-[(6-[1,1'-biphenyl]-3-yl-9H-purin...SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=C4C(=NC(=N3)NC5=CC=C(C=C5)S(=O)(=O)N)N=CN4InChIKey: FUGRWXRQJGJIER-UHFFFAOYSA-NInChI: InChI=1S/C23H18N6O2S/c24-32(30,31)19-11-9-18(10-12-19)27-23-28-20(21-22(29-23)26-14-25-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-14H,(H2,24,30,31)(H2,25,26,27,28,29)
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2,2-Diethoxypropane
Cas Number: 126-84-1Formula: C7H16O2Molecular weight: 132.2Synonyms: FT-0631738 | UNII-18I1QHH2K2 | Acetone, diethyl acetal | 2,2-Diethoxypropane, 97% | NSC528014 | NSC-...SMILES: CCOC(C)(C)OCCInChIKey: FGQLGYBGTRHODR-UHFFFAOYSA-NInChI: InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3
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