Vitas-M small molecule compound
ethyl (5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK710268
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/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 C27H24N2O5S MW 488.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5S/c1-4-32-27(31)24-25(30)23(35-26(24)28-19-8-6-5-7-9-19)13-18-12-16(2)29(17(18)3)20-10-11-21-22(14-20)34-15-33-21/h5-14,28H,4,15H2,1-3H3/b23-13-InChIKey
YFDKITUPDWYKTJ-QRVIBDJDSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(n(c2C)c2ccc3c(c2)OCO3)C)C1=O
CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)C1=O)NC5=CC=CC=C5
ETHYL(5Z)2ANILINO5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((1(13benzodioxol5yl)25dimethyl1Hpyrrol3yl)methylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC27H24N2O5Sc143227(31)2425(30)23(3526(24)28198657919)13181216(2)29(17(18)3)2010112122(1420)34153321h51428H415H213H3b2313
MFCD03711774
ZINC000006173520
ZINC06173520
ZINC6173520
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