Vitas-M small molecule compound
ethyl 4-({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[(4-ethoxyphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate
Catalog ID
STK008083
SMILES CCOc1ccc(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 C30H29N3O7S MW 575.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O7S/c1-3-37-23-12-10-21(11-13-23)31-28(35)26-16-27(34)33(17-19-5-14-24-25(15-19)40-18-39-24)30(41-26)32-22-8-6-20(7-9-22)29(36)38-4-2/h5-15,26H,3-4,16-18H2,1-2H3,(H,31,35)/b32-30-InChIKey
XKFLLVBGOJZHKA-GCUVURNUSA-NSynonyms
(Z)ethyl4((3(benzo(d)(13)dioxol5ylmethyl)6((4ethoxyphenyl)carbamoyl)4oxo13thiazinan2ylidene)amino)benzoate
CCOc1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)Cc1ccc2c(c1)OCO2
ethyl4(((2Z)3(13benzodioxol5ylmethyl)6((4ethoxyphenyl)carbamoyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD03487352
STK008083
ZINC000100129994
ZINC000100129998
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