Vitas-M small molecule compound
(2E)-3-(4-butoxyphenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK823158
SMILES CCCCOc1ccc(cc1)/C=C(/c1nc2c(n1C)cccc2)\C#N
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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 C21H21N3O MW 331.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O/c1-3-4-13-25-18-11-9-16(10-12-18)14-17(15-22)21-23-19-7-5-6-8-20(19)24(21)2/h5-12,14H,3-4,13H2,1-2H3/b17-14+InChIKey
DKRQQDYFZIVIBV-SAPNQHFASA-NSynonyms
(2E)3(4butoxyphenyl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(4butoxyphenyl)2(1methylbenzimidazol2yl)prop2enenitrile
CCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C
CCCCOc1ccc(cc1)C=C(c1nc2c(n1C)cccc2)C#N
InChI=1SC21H21N3Oc13413251811916(101218)1417(1522)212319756820(19)24(21)2h51214H3413H212H3b1714+
MFCD02350337
ZINC000005525514
ZINC05525514
ZINC5525514
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