Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-[1-phenyl-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-4-yl]prop-2-enenitrile
Catalog ID
STK799718
SMILES N#C/C(=C\c1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1)/c1nc2c([nH]1)cccc2
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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 C29H27N5 MW 445.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5/c30-17-22(28-31-25-8-4-5-9-26(25)32-28)13-23-18-34(24-6-2-1-3-7-24)33-27(23)29-14-19-10-20(15-29)12-21(11-19)16-29/h1-9,13,18-21H,10-12,14-16H2,(H,31,32)/b22-13+InChIKey
BZVPQBBPVXNPNV-LPYMAVHISA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(1phenyl3(tricyclo(3311~37~)dec1yl)1Hpyrazol4yl)prop2enenitrile
(E)3(3(1ADAMANTYL)1PHENYLPYRAZOL4YL)2(1HBENZIMIDAZOL2YL)PROP2ENENITRILE
C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C(C#N)C5=NC6=CC=CC=C6N5)C7=CC=CC=C7
InChI=1SC29H27N5c301722(283125845926(25)3228)13231834(246213724)3327(23)2914191020(1529)1221(1119)1629h19131821H10121416H2(H3132)b2213+
MFCD04446964
N#CC(=Cc1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1)c1nc2c((nH)1)cccc2
ZINC000016735122
ZINC16735122
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