Vitas-M small molecule compound

(2E)-2-(azepan-1-ylcarbonyl)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile

Catalog ID
STK701552
SMILES N#C/C(=C\c1cn(nc1c1ccc(cc1)Cl)c1ccccc1)/C(=O)N1CCCCCC1

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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 C25H23ClN4O MW 430.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O/c26-22-12-10-19(11-13-22)24-21(18-30(28-24)23-8-4-3-5-9-23)16-20(17-27)25(31)29-14-6-1-2-7-15-29/h3-5,8-13,16,18H,1-2,6-7,14-15H2/b20-16+
InChIKey
YLUUKJRXZGMDBE-CAPFRKAQSA-N
Synonyms
769143-81-9
(2E)2(azepan1ylcarbonyl)3(3(4chlorophenyl)1phenyl1Hpyrazol4yl)prop2enenitrile
(E)2(AZEPANE1CARBONYL)3(3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)PROP2ENENITRILE
2(AZEPANE1CARBONYL)3(3(4CHLOROPHENYL)1PHENYL1HPYRAZOL4YL)ACRYLONITRILE
769143819
C1CCCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N
InChI=1SC25H23ClN4Oc2622121019(111322)2421(1830(2824)238435923)1620(1727)25(31)291461271529h358131618H12671415H2b2016+
MFCD03461524
N#CC(=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1)C(=O)N1CCCCCC1
ZINC000012601892
ZINC12601892

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Available files

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