Vitas-M small molecule compound
ethyl 6-amino-4-[4-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK669456
SMILES CCOC(=O)C1=C(CSc2nc3CCCc3cc2C#N)OC(=C(C1c1ccc(cc1)OCc1ccccc1)C#N)N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H28N4O4S MW 564.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O4S/c1-2-38-32(37)29-27(19-41-31-23(16-33)15-22-9-6-10-26(22)36-31)40-30(35)25(17-34)28(29)21-11-13-24(14-12-21)39-18-20-7-4-3-5-8-20/h3-5,7-8,11-15,28H,2,6,9-10,18-19,35H2,1H3InChIKey
QCGVMRUTWRBBMG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N)CSC4=NC5=C(CCC5)C=C4C#N
ethyl6amino4(4(benzyloxy)phenyl)5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(4(benzyloxy)phenyl)5cyano2(((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYLMETHYL)4(4PHENYLMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC32H28N4O4Sc123832(37)2927(19413123(1633)1522961026(22)3631)4030(35)25(1734)28(29)21111324(141221)3918207435820h3578111528H26910181935H21H3
MFCD00743617
ZINC000008443112
ZINC000008443113
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