Vitas-M small molecule compound
2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK887412
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(c(c1)C)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 C27H28ClN3O4S MW 526.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O4S/c1-16-5-10-21(13-17(16)2)31-23(32)15-36-26-22(14-29)25(19-6-8-20(28)9-7-19)24(18(3)30-26)27(33)35-12-11-34-4/h5-10,13,25,30H,11-12,15H2,1-4H3,(H,31,32)InChIKey
GXRVJRFSTHNVBH-UHFFFAOYSA-NSynonyms
2methoxyethyl4(4chlorophenyl)5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
2methoxyethyl4(4chlorophenyl)5cyano6(2(34dimethylanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCCOC)C3=CC=C(C=C3)Cl)C#N)C
InChI=1SC27H28ClN3O4Sc11651021(1317(16)2)3123(32)15362622(1429)25(196820(28)9719)24(18(3)3026)27(33)351211344h510132530H111215H214H3(H3132)
MFCD02999592
ZINC000040486404
ZINC000040486406
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