Vitas-M small molecule compound
(2Z)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK703117
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)/C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)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 C35H34N6O3 MW 586.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N6O3/c1-24(2)19-20-44-31-17-15-26(16-18-31)33-28(23-40(38-33)29-11-7-5-8-12-29)21-27(22-36)34(42)37-32-25(3)39(4)41(35(32)43)30-13-9-6-10-14-30/h5-18,21,23-24H,19-20H2,1-4H3,(H,37,42)/b27-21-InChIKey
KKZSKYHLVVBHOU-MEFGMAGPSA-NSynonyms
(2Z)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)3(3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2cyanoN(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)3(3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)acrylamide
(Z)2CYANON(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)3(3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCCC(C)C)C5=CC=CC=C5)C#N
InChI=1SC35H34N6O3c124(2)19204431171526(161831)3328(2340(3833)29117581229)2127(2236)34(42)373225(3)39(4)41(35(32)43)301396101430h518212324H1920H214H3(H3742)b2721
MFCD03462391
N#CC(=Cc1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)C(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
ZINC000029490952
ZINC29490952
Check stock
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Check stock on Vitas-MAvailable files
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