Vitas-M small molecule compound
6-nitro-3-(6-nitro-1H-benzimidazol-2-yl)-2H-chromen-2-one
Catalog ID
STK396650
SMILES [O-][N+](=O)c1ccc2c(c1)[nH]c(n2)c1cc2cc(ccc2oc1=O)[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 C16H8N4O6 MW 352.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H8N4O6/c21-16-11(6-8-5-9(19(22)23)2-4-14(8)26-16)15-17-12-3-1-10(20(24)25)7-13(12)18-15/h1-7H,(H,17,18)InChIKey
YGVHIDRFIUMDBK-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)(nH)c(n2)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
6NITRO3(6NITRO1HBENZIMIDAZOL2YL)2HCHROMEN2ONE
6NITRO3(6NITRO1HBENZIMIDAZOL2YL)CHROMEN2ONE
6NITRO3(6NITROBENZIMIDAZOL2YL)CHROMEN2ONE
C1=CC2=C(C=C1(N+)(=O)(O))NC(=N2)C3=CC4=C(C=CC(=C4)(N+)(=O)(O))OC3=O
InChI=1SC16H8N4O6c211611(6859(19(22)23)2414(8)2616)1517123110(20(24)25)713(12)1815h17H(H1718)
MFCD00369637
ZINC000004016405
ZINC04016405
ZINC4016405
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