Vitas-M small molecule compound
1-(2-methoxy-5-nitrobenzyl)-1H-benzimidazole-2-carbonitrile
Catalog ID
STK736608
SMILES COc1ccc(cc1Cn1c(C#N)nc2c1cccc2)[N+](=O)[O-]
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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 C16H12N4O3 MW 308.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O3/c1-23-15-7-6-12(20(21)22)8-11(15)10-19-14-5-3-2-4-13(14)18-16(19)9-17/h2-8H,10H2,1H3InChIKey
IRQYKQZHFHPMSF-UHFFFAOYSA-NSynonyms
1((2METHOXY5NITROPHENYL)METHYL)BENZIMIDAZOLE2CARBONITRILE
1(2methoxy5nitrobenzyl)1Hbenzimidazole2carbonitrile
1H13BENZIMIDAZOLE2CARBONITRILE1((2METHOXY5NITROPHENYL)METHYL)
COC1=C(C=C(C=C1)(N+)(=O)(O))CN2C3=CC=CC=C3N=C2C#N
COc1ccc(cc1Cn1c(C#N)nc2c1cccc2)(N+)(=O)(O)
InChI=1SC16H12N4O3c123157612(20(21)22)811(15)101914532413(14)1816(19)917h28H10H21H3
MFCD07800548
ZINC000004632438
ZINC04632438
ZINC4632438
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