Vitas-M small molecule compound
2-{3-[(1Z)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
Catalog ID
STK379926
SMILES N#C/C(=C/c1cc(n(c1C)c1sc(c(c1C#N)C)C)C)/C(=O)N1CCN(CC1)c1ccccc1
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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 C27H27N5OS MW 469.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5OS/c1-18-14-22(20(3)32(18)27-25(17-29)19(2)21(4)34-27)15-23(16-28)26(33)31-12-10-30(11-13-31)24-8-6-5-7-9-24/h5-9,14-15H,10-13H2,1-4H3/b23-15-InChIKey
ZMLSYMQMGLPXFI-HAHDFKILSA-NSynonyms
2(3((1Z)2cyano3oxo3(4phenylpiperazin1yl)prop1en1yl)25dimethyl1Hpyrrol1yl)45dimethylthiophene3carbonitrile
2(3((1Z)2CYANO3OXO3(4PHENYLPIPERAZINYL)PROP1ENYL)25DIMETHYLPYRROLYL)45DIMETHYLTHIOPHENE3CARBONITRILE
2(3((Z)2CYANO3OXO3(4PHENYLPIPERAZIN1YL)PROP1ENYL)25DIMETHYLPYRROL1YL)45DIMETHYLTHIOPHENE3CARBONITRILE
CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC27H27N5OSc1181422(20(3)32(18)2725(1729)19(2)21(4)3427)1523(1628)26(33)31121030(111331)248657924h591415H1013H214H3b2315
MFCD02105169
N#CC(=Cc1cc(n(c1C)c1sc(c(c1C#N)C)C)C)C(=O)N1CCN(CC1)c1ccccc1
ZINC000004081817
ZINC04081817
ZINC4081817
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.