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Search results for: '90-02-8'
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1-(hydroxymethyl)cyclobutanecarboxylic acid
Cas Number: 114671-90-8Formula: C6H10O3Molecular weight: 130.14Synonyms: 1-(Hydroxymethyl)cyclobutanecarboxylic acid | 114671-90-8 | 1-(hydroxymethyl)cyclobutane-1-carboxyli...SMILES: C1CC(C1)(CO)C(=O)OInChIKey: LVJOUTSTBBXGQS-UHFFFAOYSA-NInChI: InChI=1S/C6H10O3/c7-4-6(5(8)9)2-1-3-6/h7H,1-4H2,(H,8,9)
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Acenaphthylene
Cas Number: 208-96-8Formula: C12H8Molecular weight: 152.19Synonyms: NCGC00163967-03 | NSC59821 | NSC-59821 | Tox21_201825 | AC-26296 | InChI=1/C12H8/c1-3-9-4-2-6-11-8-7...SMILES: C1=CC2=C3C(=C1)C=CC3=CC=C2InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-NInChI: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
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3-(3-pyridylmethyl)-8-azabicyclo[3.2.1]octane;dihydrochloride
Cas Number: 2098134-02-0Synonyms: 3-[(pyridin-3-yl)methyl]-8-azabicyclo[3.2.1]octane dihydrochloride | 2098134-02-0 | 3-(pyridin-3-ylm...SMILES: C1CC2CC(CC1N2)CC3=CN=CC=C3.Cl.ClInChIKey: NGIRZIVAGYFUEY-UHFFFAOYSA-NInChI: InChI=1S/C13H18N2.2ClH/c1-2-10(9-14-5-1)6-11-7-12-3-4-13(8-11)15-12;;/h1-2,5,9,11-13,15H,3-4,6-8H2;2*1H
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1,3-Dimethyl-8-phenylxanthine
Cas Number: 961-45-5Formula: C13H12N4O2Molecular weight: 314.94Synonyms: AKOS015905559 | PD015130 | 1,3-Dimethyl-8-phenylxanthine | LP00917 | NCGC00015807-01 | Lopac0_000917...SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3InChIKey: PJFMAVHETLRJHJ-UHFFFAOYSA-NInChI: InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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1,2-dibromo-hexafluoro-propane
Cas Number: 661-95-0Formula: C3Br2F6Molecular weight: 309.831Synonyms: 1,2-Dibromohexafluoropropane|661-95-0|1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane|121163-90-4|Propane,...SMILES: C(C(F)(F)F)(C(F)(F)Br)(F)BrInChIKey: KTULQNFKNLFOHL-UHFFFAOYSA-NInChI: InChI=1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11
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4,4-difluoropyrrolidine-2-carboxylic acid hydrochloride
Cas Number: 1354949-90-8Formula: C5H8ClF2NO2Molecular weight: 187.57Synonyms: 4,4-difluoropyrrolidine-2-carboxylic acid hydrochloride | 1354949-90-8 | 4,4-Difluoropyrrolidine-2-c...SMILES: C1C(NCC1(F)F)C(=O)O.ClInChIKey: QGRXWQRKPNNHMU-UHFFFAOYSA-NInChI: InChI=1S/C5H7F2NO2.ClH/c6-5(7)1-3(4(9)10)8-2-5;/h3,8H,1-2H2,(H,9,10);1H
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2-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Cas Number: 1060815-90-8Formula: C6H3ClIN3Molecular weight: 279.47Synonyms: SY069032 | SCHEMBL12120921 | 1060815-90-8 | W-204602 | Z1269130924 | MFCD13189363 | DS-0775 | FT-068...SMILES: C1=C(C2=CN=C(N=C2N1)Cl)IInChIKey: CPGBAXNIILKLJF-UHFFFAOYSA-NInChI: InChI=1S/C6H3ClIN3/c7-6-10-1-3-4(8)2-9-5(3)11-6/h1-2H,(H,9,10,11)
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2-Amino-4-phenylphenol
Formula: H2NC6H3(C6H5)OHMolecular weight: 185.22Synonyms: [1, 3-amino- | 2-Amino-4-phenylphenol | 2-amino-4-phenyl-phenol | 2-Hydroxy-5-phenylaniline | DTXSID...SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)NInChIKey: IGIDZGNPFWGICD-UHFFFAOYSA-NInChI: InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
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cis-Capsaicin, Vanilloid receptor agonist
Cas Number: 25775-90-0Formula: C18H27NO3Molecular weight: 305.42Synonyms: Zucapsaicin|25775-90-0|Civamide|cis-Capsaicin|(Z)-Capsaicin|(Z)-N-(4-Hydroxy-3-methoxybenzyl)-8-meth...SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OCInChIKey: YKPUWZUDDOIDPM-VURMDHGXSA-NInChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-
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(3R,5R)-piperidine-3,5-diol;hydrochloride
Cas Number: 2719682-90-1Synonyms: (3R,5R)-piperidine-3,5-diol hydrochloride | (3R,5R)-piperidine-3,5-diol | hydrochloride | 2719682-90...SMILES: C1C(CNCC1O)O.ClInChIKey: JLMQNKGWCODIJN-TYSVMGFPSA-NInChI: InChI=1S/C5H11NO2.ClH/c7-4-1-5(8)3-6-2-4;/h4-8H,1-3H2;1H/t4-,5-;/m1./s1
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methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
Cas Number: 1602313-90-5Formula: C10H17NO3Molecular weight: 199.25Synonyms: methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate | 1602313-90-5 | CPC31390 | MFCD29993543 | AKOS0267...SMILES: COC(=O)C1CNCC12CCOCC2InChIKey: IMHCCOTUHJJCIV-UHFFFAOYSA-NInChI: InChI=1S/C10H17NO3/c1-13-9(12)8-6-11-7-10(8)2-4-14-5-3-10/h8,11H,2-7H2,1H3
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GSK256073
Cas Number: 862892-90-8 EC Number: 629-897-2Formula: C10H13ClN4O2Molecular weight: 256.69Synonyms: GTPL8470 | E80530 | GSK 256073 | SCHEMBL2473169 | 862892-90-8 (free) | DTXSID80673110 | OKL | 157109...SMILES: CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)ClInChIKey: CGAMDQCXAAOFSR-UHFFFAOYSA-NInChI: InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)
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[8]-Shogaol
Cas Number: 36700-45-5Formula: C19H28O3Molecular weight: 304.42Synonyms: LGZSMXJRMTYABD-MDZDMXLPSA-N | NSC233 | AV4IK2HCNT | MFCD21333718 | [8]-Shogaol | NCGC00169651-02!(E)...SMILES: CCCCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OCInChIKey: LGZSMXJRMTYABD-MDZDMXLPSA-NInChI: InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+
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Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
Cas Number: 2958-72-7Formula: C11H10O2Molecular weight: 174.2Synonyms: WTUFOKOJVXNYTJ-UHFFFAOYSA-N | NSC122569 | NSC-122569 | pentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]und...SMILES: C1C2C3C4C1C5C2C(=O)C3C4C5=OInChIKey: WTUFOKOJVXNYTJ-UHFFFAOYSA-NInChI: InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2
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(2R,6S)-11-[(3R)-3-methylmorpholin-4-yl]-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one, Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3
Synonyms: compound 5SMILES: C[C@@H]1COCCN1c1nn2[C@@H]3CCC[C@@H]3NC(=O)c2c1InChIKey: LQBRZKIUSVUXJP-OUAUKWLOSA-NInChI: InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1
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(3-methoxyoxetan-3-yl)methanol
Cas Number: 1620017-02-8Formula: C5H10O3Molecular weight: 118.13Synonyms: (3-methoxyoxetan-3-yl)methanol | 1620017-02-8 | 3-Methoxy-3-oxetanemethanol | SCHEMBL21222755 | MFCD...SMILES: COC1(COC1)COInChIKey: DOLJKAPLHUHXSW-UHFFFAOYSA-NInChI: InChI=1S/C5H10O3/c1-7-5(2-6)3-8-4-5/h6H,2-4H2,1H3
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2-Chloropyridine-3,4-dicarboxylic acid
Cas Number: 215306-02-8Formula: C7H4ClNO4Molecular weight: 201.56Synonyms: 2-chloropyridine-3,4-dicarboxylic Acid|215306-02-8|2-CHLOROPYRIDINE-3,4-DICARBOXYLICACID|SCHEMBL1245...SMILES: C1=CN=C(C(=C1C(=O)O)C(=O)O)ClInChIKey: IFFHNAPSEFZPIR-UHFFFAOYSA-NInChI: InChI=1S/C7H4ClNO4/c8-5-4(7(12)13)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)(H,12,13)
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Fluorotrimethylsilylketene Ethyl Trimethylsilyl Acetal (mixture of isomers)
Cas Number: 1068142-02-8Formula: C10H23FO2Si2Molecular weight: 250.46Synonyms: {[1-ETHOXY-2-FLUORO-2-(TRIMETHYLSILYL)ETHENYL]OXY}TRIMETHYLSILANE | (1-ethoxy-2-fluoro-2-trimethylsi...SMILES: CCOC(=C(F)[Si](C)(C)C)O[Si](C)(C)CInChIKey: WECXVMSWEVCFKZ-UHFFFAOYSA-NInChI: InChI=1S/C10H23FO2Si2/c1-8-12-10(13-15(5,6)7)9(11)14(2,3)4/h8H2,1-7H3
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3-[3-(trifluoromethyl)phenyl]azetidin-3-ol;hydrochloride
Cas Number: 2387602-02-8Synonyms: 2387602-02-8 | 3-[3-(trifluoromethyl)phenyl]azetidin-3-ol | hydrochloride | 3-[3-(Trifluoromethyl)ph...SMILES: C1C(CN1)(C2=CC(=CC=C2)C(F)(F)F)O.ClInChIKey: BGIGDRPUPXLGII-UHFFFAOYSA-NInChI: InChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-2-7(4-8)9(15)5-14-6-9;/h1-4,14-15H,5-6H2;1H
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tert-butyl (1S,2S,5S)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
Cas Number: 1932494-74-0Formula: C12H22N2O2Molecular weight: 226.31Synonyms: tert-butyl (1S,2S,5S)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate | 1932494-74-0 | endo-8-Boc-8-...SMILES: CC(C)(C)OC(=O)N1C2CCC(C1CC2)NInChIKey: LJSMXQVRQBFKNF-GUBZILKMSA-NInChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-4-6-9(13)10(14)7-5-8/h8-10H,4-7,13H2,1-3H3/t8-,9-,10-/m0/s1
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tert-butyl (1R,2R,5R)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
Cas Number: 1932128-35-2Formula: C12H22N2O2Molecular weight: 226.31Synonyms: 1932128-35-2 | tert-butyl (1R,2R,5R)-2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate | endo-8-Boc-8-...SMILES: CC(C)(C)OC(=O)N1C2CCC(C1CC2)NInChIKey: LJSMXQVRQBFKNF-OPRDCNLKSA-NInChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-4-6-9(13)10(14)7-5-8/h8-10H,4-7,13H2,1-3H3/t8-,9-,10-/m1/s1
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2,3-Dihydro-1H-pyrido[3,4-b][1,4]oxazine-8-carbonitrile
Cas Number: 1228666-02-1Formula: C8H7N3OMolecular weight: 161.16Synonyms: AKOS006333293 | 1228666-02-1 | EN300-6459268 | MFCD15530319 | 2,3-Dihydro-1H-pyrido[3,4-b][1,4]oxazi...SMILES: C1COC2=C(N1)C(=CN=C2)C#NInChIKey: DVJWNFFEBFNWIU-UHFFFAOYSA-NInChI: InChI=1S/C8H7N3O/c9-3-6-4-10-5-7-8(6)11-1-2-12-7/h4-5,11H,1-2H2
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Cedryl acetate
Formula: C17H28O2Molecular weight: 264.4Synonyms: 8.beta.H-Cedran-8-ol, acetate | (+)-Cedryl acetate, technical, >=90% (sum of enantiomers, GC) | 0WS0...SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)CInChIKey: HQKQRXZEXPXXIG-DTWJZALFSA-NInChI: InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1
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2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide, Inhibitor of bromodomain containing 4
Synonyms: isoxazole azepine compound 3SMILES: NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)sc(c2C)CInChIKey: DRSQZZRFHBWKKZ-AWEZNQCLSA-NInChI: InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1
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