Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-2H-chromen-6-yl 3-nitrobenzoate
Catalog ID
STL033611
SMILES COc1cc(ccc1OC)c1c(=O)oc2c(c1C)cc(cc2)OC(=O)c1cccc(c1)[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 C25H19NO8 MW 461.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19NO8/c1-14-19-13-18(33-24(27)16-5-4-6-17(11-16)26(29)30)8-10-20(19)34-25(28)23(14)15-7-9-21(31-2)22(12-15)32-3/h4-13H,1-3H3InChIKey
OBFJQHVQLYQDRU-UHFFFAOYSA-NSynonyms
(3(34dimethoxyphenyl)4methyl2oxochromen6yl)3nitrobenzoate
3(34dimethoxyphenyl)4methyl2oxo2Hchromen6yl3nitrobenzoate
3(34DIMETHOXYPHENYL)4METHYL2OXOCHROMEN6YL3NITROBENZOATE
CC1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)c1c(=O)oc2c(c1C)cc(cc2)OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H19NO8c114191318(3324(27)1654617(1116)26(29)30)81020(19)3425(28)23(14)157921(312)22(1215)323h413H13H3
MFCD05940474
ZINC000011866218
ZINC11866218
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