Vitas-M small molecule compound
benzyl {[4-(3-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanyl}acetate
Catalog ID
STK860459
SMILES N#Cc1c(SCC(=O)OCc2ccccc2)nc(c(c1c1cccc(c1)Cl)C(=O)Nc1ccccc1)C
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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 C29H22ClN3O3S MW 528.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O3S/c1-19-26(28(35)33-23-13-6-3-7-14-23)27(21-11-8-12-22(30)15-21)24(16-31)29(32-19)37-18-25(34)36-17-20-9-4-2-5-10-20/h2-15H,17-18H2,1H3,(H,33,35)InChIKey
YYWKSKISMHWPJJ-UHFFFAOYSA-NSynonyms
328070-19-5328070195
benzyl((4(3chlorophenyl)3cyano6methyl5(phenylcarbamoyl)pyridin2yl)sulfanyl)acetate
benzyl2((4(3chlorophenyl)3cyano6methyl5(phenylcarbamoyl)pyridin2yl)thio)acetate
BENZYL2(4(3CHLOROPHENYL)3CYANO6METHYL5(PHENYLCARBAMOYL)PYRIDIN2YL)SULFANYLACETATE
CC1=C(C(=C(C(=N1)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4
InChI=1SC29H22ClN3O3Sc11926(28(35)3323136371423)27(211181222(30)1521)24(1631)29(3219)371825(34)36172094251020h215H1718H21H3(H3335)
MFCD00559045
ZINC000001820660
ZINC01820660
ZINC1820660
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