Vitas-M small molecule compound

(2Z)-2-(1-methyl-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
STK799571
SMILES N#C/C(=C/c1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1)/c1nc2c(n1C)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 C30H29N5 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N5/c1-34-27-10-6-5-9-26(27)32-29(34)23(18-31)14-24-19-35(25-7-3-2-4-8-25)33-28(24)30-15-20-11-21(16-30)13-22(12-20)17-30/h2-10,14,19-22H,11-13,15-17H2,1H3/b23-14-
InChIKey
DATOJYUSAHSDAC-UCQKPKSFSA-N
Synonyms

(2Z)2(1methyl1Hbenzimidazol2yl)3(1phenyl3(tricyclo(3311~37~)dec1yl)1Hpyrazol4yl)prop2enenitrile
(2Z)3(3(ADAMANTAN1YL)1PHENYL1HPYRAZOL4YL)2(1METHYL1H13BENZODIAZOL2YL)PROP2ENENITRILE
(Z)3(3(1adamantyl)1phenylpyrazol4yl)2(1methylbenzimidazol2yl)prop2enenitrile
CN1C2=CC=CC=C2N=C1C(=CC3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7)C#N
InChI=1SC30H29N5c134271065926(27)3229(34)23(1831)14241935(257324825)3328(24)3015201121(1630)1322(1220)1730h210141922H11131517H21H3b2314
MFCD06314856
N#CC(=Cc1cn(nc1C12CC3CC(C2)CC(C1)C3)c1ccccc1)c1nc2c(n1C)cccc2
ZINC000016735055
ZINC16735055

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Available files

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