Vitas-M small molecule compound
ethyl (5Z)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK022017
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cc(n(c2C)c2cc(C)cc(c2)C)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 C29H30N2O3S MW 486.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3S/c1-7-34-29(33)26-27(32)25(35-28(26)30-23-10-8-17(2)9-11-23)16-22-15-20(5)31(21(22)6)24-13-18(3)12-19(4)14-24/h8-16,30H,7H2,1-6H3/b25-16-InChIKey
PWHNIOPRBVVLGO-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2cc(n(c2C)c2cc(C)cc(c2)C)C)C1=O
CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CC(=CC(=C3)C)C)C)C1=O)NC4=CC=C(C=C4)C
ETHYL(5Z)5((1(35DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2((4METHYLPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5((1(35DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((1(35DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H30N2O3Sc173429(33)2627(32)25(3528(26)302310817(2)91123)16221520(5)31(21(22)6)241318(3)1219(4)1424h81630H7H216H3b2516
MFCD02953949
STK022017
ZINC000008438436
ZINC08438436
ZINC8438436
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.