Vitas-M small molecule compound
methyl (5E)-4-oxo-2-(phenylamino)-5-(pyridin-2-ylmethylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158476
SMILES COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccccn2)/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 C18H14N2O3S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O3S/c1-23-18(22)15-16(21)14(11-13-9-5-6-10-19-13)24-17(15)20-12-7-3-2-4-8-12/h2-11,20H,1H3/b14-11+InChIKey
XKNAMBCKHQCSQL-SDNWHVSQSA-NSynonyms
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccn2)C1=O
COC(=O)C1=C(SC(=CC2=CC=CC=N2)C1=O)NC3=CC=CC=C3
InChI=1SC18H14N2O3Sc12318(22)1516(21)14(1113956101913)2417(15)20127324812h21120H1H3b1411+
METHYL(5E)2ANILINO4OXO5(PYRIDIN2YLMETHYLIDENE)THIOPHENE3CARBOXYLATE
METHYL(5E)4OXO2(PHENYLAMINO)5(PYRIDIN2YLMETHYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
MFCD08679728
ZINC000000460098
ZINC00460098
ZINC460098
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