Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
Catalog ID
STK516995
SMILES N#C/C(=C\c1cc(C)c2c(c1)CC(O2)C)/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 C20H17N3O MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O/c1-12-7-14(9-15-8-13(2)24-19(12)15)10-16(11-21)20-22-17-5-3-4-6-18(17)23-20/h3-7,9-10,13H,8H2,1-2H3,(H,22,23)/b16-10+InChIKey
KPSHGUQFMRBXBC-MHWRWJLKSA-NSynonyms
(2E)2(1Hbenzimidazol2yl)3(27dimethyl23dihydro1benzofuran5yl)prop2enenitrile
(E)2(1Hbenzimidazol2yl)3(27dimethyl23dihydro1benzofuran5yl)prop2enenitrile
CC1CC2=C(O1)C(=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)C
InChI=1SC20H17N3Oc112714(915813(2)2419(12)15)1016(1121)202217534618(17)2320h3791013H8H212H3(H2223)b1610+
MFCD08549001
N#CC(=Cc1cc(C)c2c(c1)CC(O2)C)c1nc2c((nH)1)cccc2
ZINC000027516715
ZINC000027516716
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