Vitas-M small molecule compound

ethyl 3-(4-methoxyphenyl)-7-{[(3-nitrophenyl)carbonyl]oxy}-4-oxo-4H-chromene-2-carboxylate

Catalog ID
STK888367
SMILES CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(cc1)OC)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 C26H19NO9 MW 489.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19NO9/c1-3-34-26(30)24-22(15-7-9-18(33-2)10-8-15)23(28)20-12-11-19(14-21(20)36-24)35-25(29)16-5-4-6-17(13-16)27(31)32/h4-14H,3H2,1-2H3
InChIKey
CTYJOVGGEWFFHA-UHFFFAOYSA-N
Synonyms
610759-01-8
2(ETHOXYCARBONYL)3(4METHOXYPHENYL)4OXOCHROMEN7YL3NITROBENZOATE
610759018
CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=C(C=C4)OC
CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(cc1)OC)OC(=O)c1cccc(c1)(N+)(=O)(O)
ethyl3(4methoxyphenyl)7(((3nitrophenyl)carbonyl)oxy)4oxo4Hchromene2carboxylate
ETHYL3(4METHOXYPHENYL)7((3NITROBENZOYL)OXY)4OXO4HCHROMENE2CARBOXYLATE
ETHYL3(4METHOXYPHENYL)7(3NITROBENZOYL)OXY4OXOCHROMENE2CARBOXYLATE
InChI=1SC26H19NO9c133426(30)2422(157918(332)10815)23(28)20121119(1421(20)3624)3525(29)1654617(1316)27(31)32h414H3H212H3
MFCD03660643
ZINC000001463715
ZINC01463715
ZINC1463715

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Available files

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