Vitas-M small molecule compound
4-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
Catalog ID
STK055062
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)C(=O)O
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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 C29H27N3O7S MW 561.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O7S/c1-3-39-28(37)20-8-12-22(13-9-20)31-29-32(17-18-4-14-23(38-2)15-5-18)25(33)16-24(40-29)26(34)30-21-10-6-19(7-11-21)27(35)36/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)(H,35,36)/b31-29-InChIKey
NBGXVNJSTQNBBC-YCNYHXFESA-NSynonyms
(Z)4(2((4(ethoxycarbonyl)phenyl)imino)3(4methoxybenzyl)4oxo13thiazinane6carboxamido)benzoicacid
4((((2Z)2((4(ethoxycarbonyl)phenyl)imino)3(4methoxybenzyl)4oxo13thiazinan6yl)carbonyl)amino)benzoicacid
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1Cc1ccc(cc1)OC)C(=O)Nc1ccc(cc1)C(=O)O
MFCD02145394
STK055062
ZINC000100129954
ZINC000100129958
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