Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK149307
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/c1nc2c([nH]1)cc(cc2)C
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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 C18H13N3O2 MW 303.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O2/c1-11-2-4-14-15(6-11)21-18(20-14)13(9-19)7-12-3-5-16-17(8-12)23-10-22-16/h2-8H,10H2,1H3,(H,20,21)/b13-7+InChIKey
JVCRAPAAOAUNJA-NTUHNPAUSA-NSynonyms
303066-68-4(2E)3(13BENZODIOXOL5YL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)2(6METHYLBENZIMIDAZOL2YL)PROP2ENENITRILE
(E)3(13BENZODIOXOL5YL)2(6METHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(E)3(benzo(d)(13)dioxol5yl)2(6methyl1Hbenzo(d)imidazol2yl)acrylonitrile
303066684
3BENZO(13)DIOXOL5YL2(6METHYL1HBENZOIMIDAZOL2YL)ACRYLONITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3)OCO4)C#N
InChI=1SC18H13N3O2c111241415(611)2118(2014)13(919)712351617(812)23102216h28H10H21H3(H2021)b137+
MFCD00501999
N#CC(=Cc1ccc2c(c1)OCO2)c1nc2c((nH)1)cc(cc2)C
ZINC000032520043
ZINC32520043
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