Vitas-M small molecule compound

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

Catalog ID
STK888363
SMILES CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(c(c1)OC)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 C27H21NO10 MW 519.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO10/c1-4-36-27(31)25-23(15-8-11-20(34-2)22(13-15)35-3)24(29)19-10-9-18(14-21(19)38-25)37-26(30)16-6-5-7-17(12-16)28(32)33/h5-14H,4H2,1-3H3
InChIKey
FYLWKMGQVPJIOR-UHFFFAOYSA-N
Synonyms
610758-96-8
3(34DIMETHOXYPHENYL)2(ETHOXYCARBONYL)4OXOCHROMEN7YL3NITROBENZOATE
610758968
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)OC
CCOC(=O)c1oc2cc(ccc2c(=O)c1c1ccc(c(c1)OC)OC)OC(=O)c1cccc(c1)(N+)(=O)(O)
ethyl3(34dimethoxyphenyl)7(((3nitrophenyl)carbonyl)oxy)4oxo4Hchromene2carboxylate
ETHYL3(34DIMETHOXYPHENYL)7((3NITROBENZOYL)OXY)4OXO4HCHROMENE2CARBOXYLATE
ETHYL3(34DIMETHOXYPHENYL)7(3NITROBENZOYL)OXY4OXOCHROMENE2CARBOXYLATE
InChI=1SC27H21NO10c143627(31)2523(1581120(342)22(1315)353)24(29)1910918(1421(19)3825)3726(30)1665717(1216)28(32)33h514H4H213H3
MFCD03660634
ZINC000001463714
ZINC01463714
ZINC1463714

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Available files

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