Vitas-M small molecule compound
ethyl (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(4-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL445160
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)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 C21H16ClNO5S MW 429.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClNO5S/c1-2-26-21(25)18-19(24)17(10-12-3-8-15-16(9-12)28-11-27-15)29-20(18)23-14-6-4-13(22)5-7-14/h3-10,23H,2,11H2,1H3/b17-10-InChIKey
LOJAFCQVGPDLRP-YVLHZVERSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2ccc3c(c2)OCO3)C1=O
CCOC(=O)C1=C(SC(=CC2=CC3=C(C=C2)OCO3)C1=O)NC4=CC=C(C=C4)Cl
ethyl(5Z)5(13benzodioxol5ylmethylidene)2((4chlorophenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)2(4CHLOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC21H16ClNO5Sc122621(25)1819(24)17(1012381516(912)28112715)2920(18)23146413(22)5714h31023H211H21H3b1710
MFCD02800237
ZINC000013517479
ZINC13517479
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