Vitas-M small molecule compound
methyl 3-[(5,6-dimethyl-1H-benzimidazol-1-yl)carbonyl]-5-nitrobenzoate
Catalog ID
STK396020
SMILES COC(=O)c1cc(cc(c1)C(=O)n1cnc2c1cc(C)c(c2)C)[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 C18H15N3O5 MW 353.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5/c1-10-4-15-16(5-11(10)2)20(9-19-15)17(22)12-6-13(18(23)26-3)8-14(7-12)21(24)25/h4-9H,1-3H3InChIKey
DJTAPIFGXDNIAV-UHFFFAOYSA-NSynonyms
349137-90-2349137902
CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)C(=O)n1cnc2c1cc(C)c(c2)C)(N+)(=O)(O)
InChI=1SC18H15N3O5c11041516(511(10)2)20(91915)17(22)12613(18(23)263)814(712)21(24)25h49H13H3
methyl3((56dimethyl1Hbenzimidazol1yl)carbonyl)5nitrobenzoate
METHYL3((56DIMETHYLBENZIMIDAZOLYL)CARBONYL)5NITROBENZOATE
METHYL3(56DIMETHYLBENZIMIDAZOLE1CARBONYL)5NITROBENZOATE
MFCD02007139
ZINC000004506396
ZINC04506396
ZINC4506396
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