Vitas-M small molecule compound
(2E)-2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enenitrile
Catalog ID
STK219591
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/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 C17H11N3O2 MW 289.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O2/c18-9-12(17-19-13-3-1-2-4-14(13)20-17)7-11-5-6-15-16(8-11)22-10-21-15/h1-8H,10H2,(H,19,20)/b12-7+InChIKey
OLEHBLSQRIAMFP-KPKJPENVSA-NSynonyms
1157954-66-9(2E)2(1HBENZIMIDAZOL2YL)3(13BENZODIOXOL5YL)PROP2ENENITRILE
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)2BENZIMIDAZOL2YLPROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(13BENZODIOXOL5YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5yl)2(1Hbenzo(d)imidazol2yl)acrylonitrile
1157954669
2(1HBENZIMIDAZOL2YL)3(13BENZODIOXOL5YL)ACRYLONITRILE
3BENZO(13)DIOXOL5YL2(1HBENZOIMIDAZOL2YL)ACRYLONITRILE
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3
InChI=1SC17H11N3O2c18912(171913312414(13)2017)711561516(811)22102115h18H10H2(H1920)b127+
MFCD00401981
N#CC(=Cc1ccc2c(c1)OCO2)c1nc2c((nH)1)cccc2
ZINC000003898329
ZINC03898329
ZINC3898329
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