Vitas-M small molecule compound

ethyl (5Z)-5-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL374736
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2cc(n(c2C)c2ccccc2C)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)29-21-11-13-22(33-5)14-12-21)16-20-15-18(3)30(19(20)4)23-10-8-7-9-17(23)2/h7-16,29H,6H2,1-5H3/b24-16-
InChIKey
IHORVBHEJUADAW-JLPGSUDCSA-N
Synonyms

CCOC(=O)C1=C(Nc2ccc(cc2)OC)SC(=Cc2cc(n(c2C)c2ccccc2C)C)C1=O
CCOC(=O)C1=C(SC(=CC2=C(N(C(=C2)C)C3=CC=CC=C3C)C)C1=O)NC4=CC=C(C=C4)OC
ethyl(5Z)5((25dimethyl1(2methylphenyl)1Hpyrrol3yl)methylidene)2((4methoxyphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5((25DIMETHYL1(2METHYLPHENYL)PYRROL3YL)METHYLIDENE)2(4METHOXYANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((25DIMETHYL1(2METHYLPHENYL)1HPYRROL3YL)METHYLENE)2(4METHOXYANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
ETHYL5((25DIMETHYL1(2METHYLPHENYL)PYRROL3YL)METHYLENE)2((4METHOXYPHENYL)AMINO)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC28H28N2O4Sc163428(32)2526(31)24(3527(25)2921111322(335)141221)16201518(3)30(19(20)4)231087917(23)2h71629H6H215H3b2416
MFCD02637790
ZINC000006378645
ZINC06378645
ZINC6378645

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Available files

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