Vitas-M small molecule compound

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

Catalog ID
STL374700
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cc(n(c2C)c2ccc(cc2)CC)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/c1-6-21-10-14-24(15-11-21)31-19(4)16-22(20(31)5)17-25-27(32)26(29(33)34-7-2)28(35-25)30-23-12-8-18(3)9-13-23/h8-17,30H,6-7H2,1-5H3/b25-17-
InChIKey
WVKFNAQFLQIACN-UQQQWYQISA-N
Synonyms

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)C(=C(S3)NC4=CC=C(C=C4)C)C(=O)OCC)C
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2cc(n(c2C)c2ccc(cc2)CC)C)C1=O
ethyl(5Z)5((1(4ethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2((4methylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5((1(4ETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2(4METHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((1(4ETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)4OXO2(4TOLUIDINO)45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H30N2O3Sc1621101424(151121)3119(4)1622(20(31)5)172527(32)26(29(33)3472)28(3525)302312818(3)91323h81730H67H215H3b2517
MFCD02803365
ZINC000008438439
ZINC08438439
ZINC8438439

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.