Vitas-M small molecule compound
ethyl 2-[(4E)-4-{[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL378665
SMILES CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2cc(n(c2C)c2cccc(c2C)C)C)/C1=O)C
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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 C26H28N4O3S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S/c1-8-33-25(32)23-18(6)27-26(34-23)30-24(31)21(17(5)28-30)13-20-12-15(3)29(19(20)7)22-11-9-10-14(2)16(22)4/h9-13H,8H2,1-7H3/b21-13+InChIKey
WKMCNPONSRWODJ-FYJGNVAPSA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC(=C4C)C)C)C(=N2)C)C
CCOC(=O)c1sc(nc1C)N1N=C(C(=Cc2cc(n(c2C)c2cccc(c2C)C)C)C1=O)C
ethyl2((4E)4((1(23dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4((1(23DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(4((1(23DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)3METHYL5OXO(12DIAZOLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC26H28N4O3Sc183325(32)2318(6)2726(3423)3024(31)21(17(5)2830)13201215(3)29(19(20)7)221191014(2)16(22)4h913H8H217H3b2113+
MFCD03271186
ZINC000001005850
ZINC01005850
ZINC1005850
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.