Vitas-M small molecule compound
(2Z)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)prop-2-enenitrile
Catalog ID
STK287213
SMILES N#C/C(=C/c1cc2n(C)c(=O)n(c2cc1[N+](=O)[O-])C)/c1[nH]c2c(n1)cc(c(c2)C)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 C21H18N6O3 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O3/c1-11-5-15-16(6-12(11)2)24-20(23-15)14(10-22)7-13-8-18-19(9-17(13)27(29)30)26(4)21(28)25(18)3/h5-9H,1-4H3,(H,23,24)/b14-7-InChIKey
LJMRKPOWQJKQIG-AUWJEWJLSA-NSynonyms
(2Z)2(56dimethyl1Hbenzimidazol2yl)3(13dimethyl6nitro2oxo23dihydro1Hbenzimidazol5yl)prop2enenitrile
(Z)2(56DIMETHYL1HBENZIMIDAZOL2YL)3(13DIMETHYL6NITRO2OXOBENZIMIDAZOL5YL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC4=C(C=C3(N+)(=O)(O))N(C(=O)N4C)C)C#N
InChI=1SC21H18N6O3c11151516(612(11)2)2420(2315)14(1022)71381819(917(13)27(29)30)26(4)21(28)25(18)3h59H14H3(H2324)b147
MFCD06632462
N#CC(=Cc1cc2n(C)c(=O)n(c2cc1(N+)(=O)(O))C)c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000004821193
ZINC04821193
ZINC4821193
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