Vitas-M small molecule compound
methyl {[4-(3-chlorophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK644550
SMILES COC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)Cl
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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 C15H13ClN2O3S MW 336.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN2O3S/c1-21-14(20)8-22-15-12(7-17)11(6-13(19)18-15)9-3-2-4-10(16)5-9/h2-5,11H,6,8H2,1H3,(H,18,19)InChIKey
DDWAYZCKAPLOGW-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)Cl)C#N
InChI=1SC15H13ClN2O3Sc12114(20)8221512(717)11(613(19)1815)932410(16)59h2511H68H21H3(H1819)
methyl((4(3chlorophenyl)3cyano6hydroxy45dihydropyridin2yl)sulfanyl)acetate
METHYL2((4(3CHLOROPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD18163654
ZINC000000189610
ZINC000000189611
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