Vitas-M small molecule compound
ethyl 4-{[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
Catalog ID
STK034441
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccc(cc2)C(=O)OCC)/S1)Cc1ccc2c(c1)OCO2
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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 C31H29N3O8S MW 603.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O8S/c1-3-39-29(37)20-6-10-22(11-7-20)32-28(36)26-16-27(35)34(17-19-5-14-24-25(15-19)42-18-41-24)31(43-26)33-23-12-8-21(9-13-23)30(38)40-4-2/h5-15,26H,3-4,16-18H2,1-2H3,(H,32,36)/b33-31-InChIKey
WUZRVZJGXXNGPR-FPODKLOTSA-NSynonyms
(Z)ethyl4(3(benzo(d)(13)dioxol5ylmethyl)2((4(ethoxycarbonyl)phenyl)imino)4oxo13thiazinane6carboxamido)benzoate
CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)Cc1ccc2c(c1)OCO2
ethyl4(((2Z)3(13benzodioxol5ylmethyl)6((4(ethoxycarbonyl)phenyl)carbamoyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD03487356
STK034441
ZINC000100142327
ZINC000100142329
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