Vitas-M small molecule compound
6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827705
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(c(c2)Cl)C)NC(=C1C(=O)Nc1ccccc1)C)C#N
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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 C31H29ClN4O3S MW 573.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O3S/c1-4-39-26-13-9-8-12-23(26)29-24(17-33)31(40-18-27(37)35-22-15-14-19(2)25(32)16-22)34-20(3)28(29)30(38)36-21-10-6-5-7-11-21/h5-16,29,34H,4,18H2,1-3H3,(H,35,37)(H,36,38)InChIKey
RRDYKXSFJJUJOG-UHFFFAOYSA-NSynonyms
6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(2ethoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
6(2(3chloro4methylanilino)2oxoethyl)sulfanyl5cyano4(2ethoxyphenyl)2methylNphenyl14dihydropyridine3carboxamide
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)NC4=CC(=C(C=C4)C)Cl)C#N
InChI=1SC31H29ClN4O3Sc14392613981223(26)2924(1733)31(401827(37)3522151419(2)25(32)1622)3420(3)28(29)30(38)3621106571121h5162934H418H213H3(H3537)(H3638)
MFCD10088205
ZINC000102719301
ZINC000102719305
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