Vitas-M small molecule compound
methyl ({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK764241
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(c(c1)OCc1ccccc1)OC
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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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-28-19-9-8-16(10-20(19)30-13-15-6-4-3-5-7-15)17-11-21(26)25-23(18(17)12-24)31-14-22(27)29-2/h3-10,17H,11,13-14H2,1-2H3,(H,25,26)InChIKey
TXOJVMXCIMVESY-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC)OCC3=CC=CC=C3
InChI=1SC23H22N2O5Sc128199816(1020(19)3013156435715)171121(26)2523(18(17)1224)311422(27)292h31017H111314H212H3(H2526)
methyl((4(3(benzyloxy)4methoxyphenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
methyl2((4(3(benzyloxy)4methoxyphenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)acetate
METHYL2((5CYANO4(4METHOXY3PHENYLMETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01578960
ZINC000009110710
ZINC000009110711
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