Vitas-M small molecule compound
4-({[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
Catalog ID
STK063345
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1Cc1ccc2c(c1)OCO2)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 C29H25N3O8S MW 575.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O8S/c1-2-38-28(37)19-6-10-21(11-7-19)31-29-32(15-17-3-12-22-23(13-17)40-16-39-22)25(33)14-24(41-29)26(34)30-20-8-4-18(5-9-20)27(35)36/h3-13,24H,2,14-16H2,1H3,(H,30,34)(H,35,36)/b31-29-InChIKey
YYQAHDQTDJPSJN-YCNYHXFESA-NSynonyms
(Z)4(3(benzo(d)(13)dioxol5ylmethyl)2((4(ethoxycarbonyl)phenyl)imino)4oxo13thiazinane6carboxamido)benzoicacid
4((((2Z)3(13benzodioxol5ylmethyl)2((4(ethoxycarbonyl)phenyl)imino)4oxo13thiazinan6yl)carbonyl)amino)benzoicacid
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(cc1)C(=O)O
MFCD03453864
STK063345
ZINC000100824285
ZINC000100824287
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