Vitas-M small molecule compound
ethyl 6-amino-4-[4-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK669452
SMILES CCOC(=O)C1=C(CSc2nc(C)c(c(c2C#N)C)C)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 C32H30N4O4S MW 566.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O4S/c1-5-38-32(37)29-27(18-41-31-25(15-33)20(3)19(2)21(4)36-31)40-30(35)26(16-34)28(29)23-11-13-24(14-12-23)39-17-22-9-7-6-8-10-22/h6-14,28H,5,17-18,35H2,1-4H3InChIKey
CPUDPHYKUQMCDR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)N)CSC4=NC(=C(C(=C4C#N)C)C)C
ethyl6amino4(4(benzyloxy)phenyl)5cyano2(((3cyano456trimethylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO456TRIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4(4PHENYLMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC32H30N4O4Sc153832(37)2927(18413125(1533)20(3)19(2)21(4)3631)4030(35)26(1634)28(29)23111324(141223)39172297681022h61428H5171835H214H3
MFCD00743606
ZINC000097940086
ZINC000097940087
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