Vitas-M small molecule compound
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]-2-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826631
SMILES CCOC(=O)C1=C(NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)c1ccccc1)c1ccccc1
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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 C29H23ClN2O3S MW 515.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O3S/c1-2-35-29(34)26-25(21-15-9-10-16-23(21)30)22(17-31)28(32-27(26)20-13-7-4-8-14-20)36-18-24(33)19-11-5-3-6-12-19/h3-16,25,32H,2,18H2,1H3InChIKey
SHLCWXUYDBZQIX-UHFFFAOYSA-NSynonyms
687591-89-5687591895
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)C3=CC=CC=C3)C4=CC=CC=C4
ethyl4(2chlorophenyl)5cyano6((2oxo2phenylethyl)sulfanyl)2phenyl14dihydropyridine3carboxylate
ethyl4(2chlorophenyl)5cyano6((2oxo2phenylethyl)thio)2phenyl14dihydropyridine3carboxylate
ETHYL4(2CHLOROPHENYL)5CYANO6PHENACYLSULFANYL2PHENYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC29H23ClN2O3Sc123529(34)2625(21159101623(21)30)22(1731)28(3227(26)20137481420)361824(33)19115361219h3162532H218H21H3
MFCD03669326
ZINC000002200059
ZINC000002200062
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