Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile

Catalog ID
STK083134
SMILES COc1cc2OCOc2cc1/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 C18H13N3O3 MW 319.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O3/c1-22-15-8-17-16(23-10-24-17)7-11(15)6-12(9-19)18-20-13-4-2-3-5-14(13)21-18/h2-8H,10H2,1H3,(H,20,21)/b12-6+
InChIKey
SOHCPSWIYWPDIY-WUXMJOGZSA-N
Synonyms
597544-98-4
(2E)2(1HBENZIMIDAZOL2YL)3(6METHOXY13BENZODIOXOL5YL)PROP2ENENITRILE
(2E)2BENZIMIDAZOL2YL3(6METHOXY(2HBENZO(D)13DIOXOLEN5YL))PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(6METHOXY13BENZODIOXOL5YL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(6methoxybenzo(d)(13)dioxol5yl)acrylonitrile
(E)2(1HBENZOIMIDAZOL2YL)3(6METHOXYBENZO(13)DIOXOL5YL)ACRYLONITRILE
597544984
COC1=CC2=C(C=C1C=C(C#N)C3=NC4=CC=CC=C4N3)OCO2
COc1cc2OCOc2cc1C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC18H13N3O3c1221581716(23102417)711(15)612(919)182013423514(13)2118h28H10H21H3(H2021)b126+
MFCD03923594
STK083134
ZINC000004541061
ZINC04541061
ZINC4541061

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Available files

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