Vitas-M small molecule compound
(2E)-2-(5-methyl-1H-benzimidazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Catalog ID
STK728088
SMILES N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/c1nc2c([nH]1)ccc(c2)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 C18H12N4O4 MW 348.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O4/c1-10-2-3-13-14(4-10)21-18(20-13)12(8-19)5-11-6-16-17(26-9-25-16)7-15(11)22(23)24/h2-7H,9H2,1H3,(H,20,21)/b12-5+InChIKey
HMQIOMFNFOVCFD-LFYBBSHMSA-NSynonyms
(2E)2(5methyl1Hbenzimidazol2yl)3(6nitro13benzodioxol5yl)prop2enenitrile
(E)2(6METHYL1HBENZIMIDAZOL2YL)3(6NITRO13BENZODIOXOL5YL)PROP2ENENITRILE
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC4=C(C=C3(N+)(=O)(O))OCO4)C#N
InChI=1SC18H12N4O4c110231314(410)2118(2013)12(819)51161617(2692516)715(11)22(23)24h27H9H21H3(H2021)b125+
MFCD13371766
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))c1nc2c((nH)1)ccc(c2)C
ZINC000004150153
ZINC04150153
ZINC4150153
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