Vitas-M small molecule compound
(2E)-3-(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-2-[(4-methylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Catalog ID
STK810617
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)/C(=O)N1CCN(CC1)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 C31H28ClN5O2 MW 538.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN5O2/c1-35-15-17-36(18-16-35)31(38)25(20-33)19-26-21-37(28-5-3-2-4-6-28)34-30(26)24-9-13-29(14-10-24)39-22-23-7-11-27(32)12-8-23/h2-14,19,21H,15-18,22H2,1H3/b25-19+InChIKey
DHJWFGOONIRWDT-NCELDCMTSA-NSynonyms
(2E)3(3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)2((4methylpiperazin1yl)carbonyl)prop2enenitrile
(2E)3(3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYL1HPYRAZOL4YL)2((4METHYLPIPERAZIN1YL)CARBONYL)PROP2ENENITRILE
(E)3(3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)2(4METHYLPIPERAZINE1CARBONYL)PROP2ENENITRILE
CN1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)C#N
InChI=1SC31H28ClN5O2c135151736(181635)31(38)25(2033)19262137(285324628)3430(26)2491329(141024)39222371127(32)12823h2141921H151822H21H3b2519+
MFCD04445682
N#CC(=Cc1cn(nc1c1ccc(cc1)OCc1ccc(cc1)Cl)c1ccccc1)C(=O)N1CCN(CC1)C
ZINC000097946332
ZINC97946332
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