Vitas-M small molecule compound
ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-{[(4-methoxyphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK040198
SMILES CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)S/C(=C\c2ccc3c(c2)OCO3)/C1=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 C23H19NO7S MW 453.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19NO7S/c1-3-29-23(27)19-20(25)18(11-13-4-9-16-17(10-13)31-12-30-16)32-22(19)24-21(26)14-5-7-15(28-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,24,26)/b18-11-InChIKey
NFGIQCPIAFETMV-WQRHYEAKSA-NSynonyms
CCOC(=O)C1=C(NC(=O)c2ccc(cc2)OC)SC(=Cc2ccc3c(c2)OCO3)C1=O
CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC(=O)C4=CC=C(C=C4)OC
ETHYL(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)2(((4METHOXYPHENYL)CARBONYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)2((4METHOXYBENZOYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC23H19NO7Sc132923(27)1920(25)18(1113491617(1013)31123016)3222(19)2421(26)145715(282)8614h411H312H212H3(H2426)b1811
MFCD04061987
STK040198
ZINC000009296146
ZINC09296146
ZINC9296146
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