Vitas-M small molecule compound
ethyl (5Z)-5-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374704
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cc(n(c2C)c2ccc(cc2)OC)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 C28H28N2O4S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4S/c1-6-34-28(32)25-26(31)24(35-27(25)29-21-9-7-17(2)8-10-21)16-20-15-18(3)30(19(20)4)22-11-13-23(33-5)14-12-22/h7-16,29H,6H2,1-5H3/b24-16-InChIKey
ACRHHXXLBKTPJW-JLPGSUDCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2cc(n(c2C)c2ccc(cc2)OC)C)C1=O
CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)C1=O)NC4=CC=C(C=C4)C
ethyl(5Z)5((1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5((1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((1(4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
ETHYL5((1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)2((4METHYLPHENYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC28H28N2O4Sc163428(32)2526(31)24(3527(25)29219717(2)81021)16201518(3)30(19(20)4)22111323(335)141222h71629H6H215H3b2416
MFCD02221946
ZINC000006378644
ZINC06378644
ZINC6378644
Check stock
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Check stock on Vitas-MAvailable files
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