Vitas-M small molecule compound
ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL375001
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc3c(c2)OCO3)/C1=O)NC(=O)c1ccccc1
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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 C22H17NO6S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17NO6S/c1-2-27-22(26)18-19(24)17(11-13-8-9-15-16(10-13)29-12-28-15)30-21(18)23-20(25)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,23,25)/b17-11-InChIKey
JPPZCXRHXUFWKL-BOPFTXTBSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC(=O)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=Cc2ccc3c(c2)OCO3)C1=O)NC(=O)c1ccccc1
ETHYL(5Z)2BENZAMIDO5(13BENZODIOXOL5YLMETHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(13benzodioxol5ylmethylidene)4oxo2((phenylcarbonyl)amino)45dihydrothiophene3carboxylate
InChI=1SC22H17NO6Sc122722(26)1819(24)17(1113891516(1013)29122815)3021(18)2320(25)146435714h311H212H21H3(H2325)b1711
MFCD03721386
ZINC000009296114
ZINC09296114
ZINC9296114
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