Vitas-M small molecule compound
ethyl (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK043965
SMILES CCOC(=O)C1=C(Nc2ccccc2)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 C21H17NO5S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO5S/c1-2-25-21(24)18-19(23)17(28-20(18)22-14-6-4-3-5-7-14)11-13-8-9-15-16(10-13)27-12-26-15/h3-11,22H,2,12H2,1H3/b17-11+InChIKey
IIABLAMILDIEAR-GZTJUZNOSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc3c(c2)OCO3)C1=O
CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC4=CC=CC=C4
ETHYL(5E)2ANILINO5(13BENZODIOXOL5YLMETHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5E)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2(PHENYLAMINO)45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC21H17NO5Sc122521(24)1819(23)17(2820(18)22146435714)1113891516(1013)27122615h31122H212H21H3b1711+
MFCD01829874
STK043965
ZINC000001025828
ZINC01025828
ZINC1025828
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