Vitas-M small molecule compound
2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK839567
SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1ccccc1CC
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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/c1-4-18-9-5-8-12-22(18)31-23(32)16-36-26-20(15-29)25(19-10-6-7-11-21(19)28)24(17(2)30-26)27(33)35-14-13-34-3/h5-12,25,30H,4,13-14,16H2,1-3H3,(H,31,32)InChIKey
CTGCXHLMSSVEEC-UHFFFAOYSA-NSynonyms
370842-98-12methoxyethyl4(2chlorophenyl)5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
2methoxyethyl4(2chlorophenyl)5cyano6((2((2ethylphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
2METHOXYETHYL4(2CHLOROPHENYL)5CYANO6(2(2ETHYLANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
370842981
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCCOC)C3=CC=CC=C3Cl)C#N
InChI=1SC27H28ClN3O4Sc14189581222(18)3123(32)16362620(1529)25(1910671121(19)28)24(17(2)3026)27(33)351413343h5122530H4131416H213H3(H3132)
MFCD02999074
ZINC000020025865
ZINC000020025867
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