Vitas-M small molecule compound
benzyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK549179
SMILES CCN(C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccccc1Cl)CC
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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 C27H28ClN3O3S MW 510.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O3S/c1-4-31(5-2)23(32)17-35-26-21(15-29)25(20-13-9-10-14-22(20)28)24(18(3)30-26)27(33)34-16-19-11-7-6-8-12-19/h6-14,25,30H,4-5,16-17H2,1-3H3InChIKey
NURHXCXHEIIGTI-UHFFFAOYSA-NSynonyms
799770-20-0799770200
benzyl4(2chlorophenyl)5cyano6((2(diethylamino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(2chlorophenyl)5cyano6((2(diethylamino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(2CHLOROPHENYL)5CYANO6(2(DIETHYLAMINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3Cl)C#N
InChI=1SC27H28ClN3O3Sc1431(52)23(32)17352621(1529)25(20139101422(20)28)24(18(3)3026)27(33)341619117681219h6142530H451617H213H3
MFCD03671397
ZINC000020170644
ZINC000020170646
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