Vitas-M small molecule compound
4-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
Catalog ID
STK079180
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1CCc1ccccc1)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 C29H27N3O6S MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O6S/c1-2-38-28(37)21-10-14-23(15-11-21)31-29-32(17-16-19-6-4-3-5-7-19)25(33)18-24(39-29)26(34)30-22-12-8-20(9-13-22)27(35)36/h3-15,24H,2,16-18H2,1H3,(H,30,34)(H,35,36)/b31-29-InChIKey
NGCPMBSZVAIOPH-YCNYHXFESA-NSynonyms
519146-39-5(Z)4(2((4(ethoxycarbonyl)phenyl)imino)4oxo3phenethyl13thiazinane6carboxamido)benzoicacid
4((((2Z)2((4(ethoxycarbonyl)phenyl)imino)4oxo3(2phenylethyl)13thiazinan6yl)carbonyl)amino)benzoicacid
519146395
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1CCc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)O
MFCD02145365
STK079180
ZINC000100142421
ZINC000100142424
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