Vitas-M small molecule compound
3-(1H-benzimidazol-2-yl)-8-ethoxy-6-nitro-2H-chromen-2-one
Catalog ID
STL354569
SMILES CCOc1cc(cc2c1oc(=O)c(c2)c1nc2c([nH]1)cccc2)[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 C18H13N3O5 MW 351.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O5/c1-2-25-15-9-11(21(23)24)7-10-8-12(18(22)26-16(10)15)17-19-13-5-3-4-6-14(13)20-17/h3-9H,2H2,1H3,(H,19,20)InChIKey
PUFXGHJGVDSVBO-UHFFFAOYSA-NSynonyms
3(1Hbenzimidazol2yl)8ethoxy6nitro2Hchromen2one
3(1HBENZIMIDAZOL2YL)8ETHOXY6NITROCHROMEN2ONE
3BENZIMIDAZOL2YL8ETHOXY6NITROCHROMEN2ONE
CCOC1=C2C(=CC(=C1)(N+)(=O)(O))C=C(C(=O)O2)C3=NC4=CC=CC=C4N3
CCOc1cc(cc2c1oc(=O)c(c2)c1nc2c((nH)1)cccc2)(N+)(=O)(O)
InChI=1SC18H13N3O5c122515911(21(23)24)710812(18(22)2616(10)15)171913534614(13)2017h39H2H21H3(H1920)
MFCD06006296
ZINC000001061615
ZINC01061615
ZINC1061615
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