Vitas-M small molecule compound
(2E)-1-(1H-benzimidazol-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Catalog ID
STK020395
SMILES O=C(n1cnc2c1cccc2)/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 C17H12N2O3 MW 292.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O3/c20-17(19-10-18-13-3-1-2-4-14(13)19)8-6-12-5-7-15-16(9-12)22-11-21-15/h1-10H,11H2/b8-6+InChIKey
CMMBAPNNFHHQLX-SOFGYWHQSA-NSynonyms
346715-30-8(2E)1(1HBENZIMIDAZOL1YL)3(13BENZODIOXOL5YL)PROP2EN1ONE
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)1BENZIMIDAZOLYLPROP2EN1ONE
(E)1(BENZIMIDAZOL1YL)3(13BENZODIOXOL5YL)PROP2EN1ONE
(E)3(benzo(d)(13)dioxol5yl)1(1Hbenzo(d)imidazol1yl)prop2en1one
346715308
C1OC2=C(O1)C=C(C=C2)C=CC(=O)N3C=NC4=CC=CC=C43
InChI=1SC17H12N2O3c2017(19101813312414(13)19)8612571516(912)22112115h110H11H2b86+
MFCD01354303
O=C(n1cnc2c1cccc2)C=Cc1ccc2c(c1)OCO2
STK020395
ZINC000004067164
ZINC04067164
ZINC4067164
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