Vitas-M small molecule compound
(2Z)-2-(1H-benzimidazol-2-yl)-3-(4-butoxy-3-methoxyphenyl)prop-2-enenitrile
Catalog ID
STL023914
SMILES CCCCOc1ccc(cc1OC)/C=C(\c1nc2c([nH]1)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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c1-3-4-11-26-19-10-9-15(13-20(19)25-2)12-16(14-22)21-23-17-7-5-6-8-18(17)24-21/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)/b16-12-InChIKey
JKHZPYBGISDURB-VBKFSLOCSA-NSynonyms
(2Z)2(1Hbenzimidazol2yl)3(4butoxy3methoxyphenyl)prop2enenitrile
(Z)2(1Hbenzimidazol2yl)3(4butoxy3methoxyphenyl)prop2enenitrile
CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC
CCCCOc1ccc(cc1OC)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC21H21N3O2c13411261910915(1320(19)252)1216(1422)212317756818(17)2421h5101213H3411H212H3(H2324)b1612
MFCD03927810
ZINC000051010905
ZINC51010905
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