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Search results for: '87-44-5'
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4-(trifluoromethyl)-1H-pyrazol-3-amine
Cas Number: 1056139-87-7Formula: C4H4F3N3Molecular weight: 151.092Synonyms: 4-(trifluoromethyl)-1H-Pyrazol-3-amine|1056139-87-7|4-(trifluoromethyl)-1H-pyrazol-5-amine|4-Trifluo...SMILES: C1=NNC(=C1C(F)(F)F)NInChIKey: KBVOILKOLGWPBG-UHFFFAOYSA-NInChI: InChI=1S/C4H4F3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
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NSC45586
Cas Number: 6300-44-3(DMSO)Formula: C20H18N6NaO3+Molecular weight: 413.4Synonyms: NSC45586|6300-44-3|sodium;(3Z)-3-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]phenyl]hydrazinylidene]-6...
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(3-(Benzyloxy)isoxazol-5-yl)methanol
Cas Number: 123320-44-5Formula: C11H11NO3Molecular weight: 205.21Synonyms: (3-(Benzyloxy)isoxazol-5-yl)methanol|123320-44-5|5-Isoxazolemethanol, 3-(phenylmethoxy)-|(3-phenylme...SMILES: C1=CC=C(C=C1)COC2=NOC(=C2)COInChIKey: HHYMUVTUFJYDSQ-UHFFFAOYSA-NInChI: InChI=1S/C11H11NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-6,13H,7-8H2
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2-Bromo-5-methoxyphenylboronic acid
Cas Number: 89694-44-0Formula: C7H8BBrO3Molecular weight: 230.9Synonyms: 89694-44-0|2-BROMO-5-METHOXYPHENYLBORONIC ACID|(2-bromo-5-methoxyphenyl)boronic acid|2-Bromo-5-metho...SMILES: B(C1=C(C=CC(=C1)OC)Br)(O)OInChIKey: BJQKEDXKQVNQPR-UHFFFAOYSA-NInChI: InChI=1S/C7H8BBrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,10-11H,1H3
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Gramine
Formula: C11H14N2Molecular weight: 174.24Synonyms: A842252 | BRD-K26005076-001-03-7 | BSPBio_000598 | NCGC00016343-03 | TNP00029 | CAS-87-52-5 | FGQ8A7...SMILES: CN(C)CC1=CNC2=CC=CC=C21InChIKey: OCDGBSUVYYVKQZ-UHFFFAOYSA-NInChI: InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
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4-Bromopyridine
Cas Number: 1120-87-2Formula: C5H4BrNMolecular weight: 158.00Synonyms: 4-BROMOPYRIDINE|1120-87-2|Pyridine, 4-bromo-|4-Bromo-Pyridine|4-pyridyl bromide|CHEBI:51576|4-bromo ...SMILES: C1=CN=CC=C1BrInChIKey: BSDGZUDFPKIYQG-UHFFFAOYSA-NInChI: InChI=1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H
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1-(Benzyloxy)-3-bromo-5-fluorobenzene
Cas Number: 130722-44-0Formula: C13H10BrFOMolecular weight: 281.1Synonyms: 1-(Benzyloxy)-3-bromo-5-fluorobenzene|130722-44-0|1-(Benzyloxy)-5-bromo-3-fluorobenzene|1-bromo-3-fl...SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2)Br)FInChIKey: GNKNCAKNJIQBSX-UHFFFAOYSA-NInChI: InChI=1S/C13H10BrFO/c14-11-6-12(15)8-13(7-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
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3-(3,5-Dimethylphenyl)propanoic acid
Cas Number: 42287-87-6Formula: C11H14O2Molecular weight: 178.23Synonyms: 3-(3,5-DIMETHYLPHENYL)PROPANOIC ACID|42287-87-6|3,5-Dimethylbenzenepropanoic acid|MFCD09055207|3-(3,...SMILES: CC1=CC(=CC(=C1)CCC(=O)O)CInChIKey: CCPNDKXTGJGIIV-UHFFFAOYSA-NInChI: InChI=1S/C11H14O2/c1-8-5-9(2)7-10(6-8)3-4-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
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2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate
Cas Number: 1961266-44-3Formula: C14H6F8O3S2Molecular weight: 438.31Synonyms: 1961266-44-3|2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonat...SMILES: C1=CC2=C(C=C1F)C3=C([S+]2C(F)(F)F)C=CC(=C3)F.C(F)(F)(F)S(=O)(=O)[O-]InChIKey: WLVWCXRDONBKDB-UHFFFAOYSA-MInChI: InChI=1S/C13H6F5S.CHF3O3S/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)/q+1;/p-1
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Methyl 4-amino-5-chlorothiophene-2-carboxylate
Cas Number: 89499-44-5Formula: C6H6ClNO2SMolecular weight: 191.64Synonyms: methyl 4-amino-5-chlorothiophene-2-carboxylate|89499-44-5|4-Amino-5-chlorothiophene-2-carboxylic aci...SMILES: COC(=O)C1=CC(=C(S1)Cl)NInChIKey: RUAIJHHRCIHFEV-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClNO2S/c1-10-6(9)4-2-3(8)5(7)11-4/h2H,8H2,1H3
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5-Bromo-6-oxo-1,6-dihydropyridine-3-carbonitrile
Cas Number: 19840-44-9Formula: C6H3BrN2OMolecular weight: 199.01Synonyms: 19840-44-9|5-bromo-6-hydroxynicotinonitrile|5-Bromo-6-oxo-1,6-dihydropyridine-3-carbonitrile|5-bromo...SMILES: C1=C(C(=O)NC=C1C#N)BrInChIKey: NCIBXYJEJGGUFF-UHFFFAOYSA-NInChI: InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
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Ethyl (3-bromo-5-fluorobenzoyl)acetate
Cas Number: 1020058-44-9Formula: C11H10BrFO3Molecular weight: 289.1Synonyms: DTXSID30672274 | A898847 | 1020058-44-9 | Ethyl (3-bromo-5-fluorobenzoyl)acetate, 95% | A1-19044 | B...SMILES: CCOC(=O)CC(=O)C1=CC(=CC(=C1)Br)FInChIKey: MDZMKRYNAOMODM-UHFFFAOYSA-NInChI: InChI=1S/C11H10BrFO3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5H,2,6H2,1H3
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Methyl 2-amino-4-p-tolylthiazole-5-carboxylate
Cas Number: 1133115-44-2Formula: C12H12N2O2SMolecular weight: 248.3Synonyms: 1133115-44-2|Methyl 2-amino-4-p-tolylthiazole-5-carboxylate|Methyl 2-amino-4-(p-tolyl)thiazole-5-car...SMILES: CC1=CC=C(C=C1)C2=C(SC(=N2)N)C(=O)OCInChIKey: VGGXVJGOSLEMFU-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2S/c1-7-3-5-8(6-4-7)9-10(11(15)16-2)17-12(13)14-9/h3-6H,1-2H3,(H2,13,14)
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5-cyano-1H-indole-2-carboxylic acid
Cas Number: 169463-44-9Formula: C10H6N2O2Molecular weight: 186.17Synonyms: 5-cyano-1H-indole-2-carboxylic Acid|169463-44-9|MFCD08277073|1H-Indole-2-carboxylic acid, 5-cyano-|S...SMILES: C1=CC2=C(C=C1C#N)C=C(N2)C(=O)OInChIKey: AXAUNIVIEFHPSY-UHFFFAOYSA-NInChI: InChI=1S/C10H6N2O2/c11-5-6-1-2-8-7(3-6)4-9(12-8)10(13)14/h1-4,12H,(H,13,14)
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Methyl 4-amino-3-(diethylamino)benzoate
Cas Number: 1314987-87-5Formula: C12H18N2O2Molecular weight: 222.3Synonyms: Methyl 4-amino-3-(diethylamino)benzoate|1314987-87-5|4-(Methoxycarbonyl)-2,2-diethylbenzene-1,2-diam...SMILES: CCN(CC)C1=C(C=CC(=C1)C(=O)OC)NInChIKey: ILZMGHGPYNRXCS-UHFFFAOYSA-NInChI: InChI=1S/C12H18N2O2/c1-4-14(5-2)11-8-9(12(15)16-3)6-7-10(11)13/h6-8H,4-5,13H2,1-3H3
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(5-(Ethoxycarbonyl)furan-2-yl)boronic acid
Cas Number: 1150114-44-5Formula: C7H9BO5Molecular weight: 183.95Synonyms: 1150114-44-5|(5-(Ethoxycarbonyl)furan-2-yl)boronic acid|5-(ETHOXYCARBONYL)FURAN-2-BORONIC ACID|(5-et...SMILES: B(C1=CC=C(O1)C(=O)OCC)(O)OInChIKey: USBGGMMAQCIWDL-UHFFFAOYSA-NInChI: InChI=1S/C7H9BO5/c1-2-12-7(9)5-3-4-6(13-5)8(10)11/h3-4,10-11H,2H2,1H3
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2-Bromo-4-chloro-5-(trifluoromethyl)aniline
Cas Number: 193090-44-7Formula: C7H4BrClF3NMolecular weight: 274.47Synonyms: 2-bromo-4-chloro-5-(trifluoromethyl)aniline|193090-44-7|2-Bromo-4-chloro-5-(trifluoromethyl)benzenam...SMILES: C1=C(C(=CC(=C1N)Br)Cl)C(F)(F)FInChIKey: XVITUACFGUYVKU-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrClF3N/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2H,13H2
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2-Propoxypyridine-3-boronic acid, pinacol ester
Cas Number: 1073371-87-5Formula: C14H22BNO3Molecular weight: 263.1Synonyms: 2-Propoxypyridine-3-boronic acid, pinacol ester | FD10375 | MFCD07781169 | 1073371-87-5 | SCHEMBL999...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)OCCCInChIKey: NEKFTDDYHKYVSI-UHFFFAOYSA-NInChI: InChI=1S/C14H22BNO3/c1-6-10-17-12-11(8-7-9-16-12)15-18-13(2,3)14(4,5)19-15/h7-9H,6,10H2,1-5H3
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4,6-Dichloro-3-formylcoumarin
Cas Number: 51069-87-5Formula: C10H4O3C12Molecular weight: 243.04Synonyms: 4,6-Dichloro-3-formylcoumarin|51069-87-5|4,6-DICHLORO-2-OXO-2H-CHROMENE-3-CARBALDEHYDE|4,6-dichloro-...SMILES: C1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C=O)ClInChIKey: OKMFWQALBSVSDG-UHFFFAOYSA-NInChI: InChI=1S/C10H4Cl2O3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
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2-Fluoro-5-methylbenzaldehyde
Cas Number: 93249-44-6Formula: C8H7FOMolecular weight: 138.14Synonyms: 2-Fluoro-5-methylbenzaldehyde|93249-44-6|MFCD02093762|BENZALDEHYDE, 2-FLUORO-5-METHYL-|2-fluoro-5-me...SMILES: CC1=CC(=C(C=C1)F)C=OInChIKey: QAWILFXCNRBMDF-UHFFFAOYSA-NInChI: InChI=1S/C8H7FO/c1-6-2-3-8(9)7(4-6)5-10/h2-5H,1H3
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Ozanimod (RPC1063), Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor
Cas Number: 1306760-87-1Formula: C23H24N4O3Molecular weight: 404.46Synonyms: Ozanimod|1306760-87-1|RPC1063|RPC-1063|Ozanimod (RPC1063)|(S)-5-(3-(1-((2-hydroxyethyl)amino)-2,3-di...SMILES: CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#NInChIKey: XRVDGNKRPOAQTN-FQEVSTJZSA-NInChI: InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
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(R)-1-(m-Tolyl)propan-1-amine hydrochloride
Cas Number: 1391356-26-5Formula: C10H16ClNMolecular weight: 185.69Synonyms: (R)-1-(m-Tolyl)propan-1-amine hydrochloride|1391356-26-5|1212925-87-5|(1R)-1-(3-methylphenyl)propan-...SMILES: CCC(C1=CC=CC(=C1)C)N.ClInChIKey: WSMNRTKLFDPCAX-HNCPQSOCSA-NInChI: InChI=1S/C10H15N.ClH/c1-3-10(11)9-6-4-5-8(2)7-9;/h4-7,10H,3,11H2,1-2H3;1H/t10-;/m1./s1
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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indoline
Cas Number: 1062174-44-0Formula: C14H20BNO2Molecular weight: 245.13Synonyms: AM86268 | 1062174-44-0 | SCHEMBL12470951 | Indoline-5-boronic acid pinacol ester | MFCD16995801 | 5-...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NCC3InChIKey: ZYOHYGQNRQMVMG-UHFFFAOYSA-NInChI: InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-6,9,16H,7-8H2,1-4H3
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