Vitas-M small molecule compound

methyl 2-(7,8-dimethoxy-2-oxo-2H-chromen-4-yl)-3-(4-nitrophenyl)propanoate

Catalog ID
STK641514
SMILES COC(=O)C(c1cc(=O)oc2c1ccc(c2OC)OC)Cc1ccc(cc1)[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 C21H19NO8 MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO8/c1-27-17-9-8-14-15(11-18(23)30-19(14)20(17)28-2)16(21(24)29-3)10-12-4-6-13(7-5-12)22(25)26/h4-9,11,16H,10H2,1-3H3
InChIKey
KQAXMRBHKMYFOY-UHFFFAOYSA-N
Synonyms
951943-46-7
951943467
COC(=O)C(c1cc(=O)oc2c1ccc(c2OC)OC)Cc1ccc(cc1)(N+)(=O)(O)
COC1=C(C2=C(C=C1)C(=CC(=O)O2)C(CC3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC)OC
InChI=1SC21H19NO8c12717981415(1118(23)3019(14)20(17)282)16(21(24)293)10124613(7512)22(25)26h491116H10H213H3
methyl2(78dimethoxy2oxo2Hchromen4yl)3(4nitrophenyl)propanoate
methyl2(78dimethoxy2oxochromen4yl)3(4nitrophenyl)propanoate
MFCD09855428
ZINC000013722444
ZINC000013722446

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.