Vitas-M small molecule compound
(2E)-N-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-yl)prop-2-enamide
Catalog ID
STK457900
SMILES O=C(Nc1nc2c([nH]1)cccc2)/C=C/c1ccc2c(c1)OCO2
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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 C17H13N3O3 MW 307.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O3/c21-16(20-17-18-12-3-1-2-4-13(12)19-17)8-6-11-5-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H2,18,19,20,21)/b8-6+InChIKey
XTJFWBNQWQQAMU-SOFGYWHQSA-NSynonyms
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)NBENZIMIDAZOL2YLPROP2ENAMIDE
(2E)N(1Hbenzimidazol2yl)3(13benzodioxol5yl)prop2enamide
(E)N(1HBENZIMIDAZOL2YL)3(13BENZODIOXOL5YL)PROP2ENAMIDE
C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=NC4=CC=CC=C4N3
InChI=1SC17H13N3O3c2116(20171812312413(12)1917)8611571415(911)23102214h19H10H2(H218192021)b86+
MFCD03387536
O=C(Nc1nc2c((nH)1)cccc2)C=Cc1ccc2c(c1)OCO2
ZINC000000474610
ZINC00474610
ZINC474610
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