Vitas-M small molecule compound

methyl 5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK887300
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=C1C(=O)OC)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 C28H31N3O4S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4S/c1-7-35-22-11-9-8-10-20(22)25-21(14-29)27(30-19(5)24(25)28(33)34-6)36-15-23(32)31-26-17(3)12-16(2)13-18(26)4/h8-13,25,30H,7,15H2,1-6H3,(H,31,32)
InChIKey
ZHQWGMWYPZLNFI-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)NC3=C(C=C(C=C3C)C)C)C#N
InChI=1SC28H31N3O4Sc17352211981020(22)2521(1429)27(3019(5)24(25)28(33)346)361523(32)312617(3)1216(2)1318(26)4h8132530H715H216H3(H3132)
methyl5cyano4(2ethoxyphenyl)2methyl6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxylate
methyl5cyano4(2ethoxyphenyl)2methyl6(2oxo2(246trimethylanilino)ethyl)sulfanyl14dihydropyridine3carboxylate
MFCD10088166
ZINC000020348636
ZINC000020348637

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Available files

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