Vitas-M small molecule compound

ethyl 6-bromo-5-{[(4-nitrophenyl)carbonyl]oxy}-2-phenyl-1-benzofuran-3-carboxylate

Catalog ID
STK887978
SMILES CCOC(=O)c1c(oc2c1cc(OC(=O)c1ccc(cc1)[N+](=O)[O-])c(c2)Br)c1ccccc1

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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 C24H16BrNO7 MW 510.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16BrNO7/c1-2-31-24(28)21-17-12-20(33-23(27)15-8-10-16(11-9-15)26(29)30)18(25)13-19(17)32-22(21)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKey
GBEIAOSKAJGTCY-UHFFFAOYSA-N
Synonyms

6BROMO3(ETHOXYCARBONYL)2PHENYLBENZO(B)FURAN5YL4NITROBENZOATE
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Br)C4=CC=CC=C4
CCOC(=O)c1c(oc2c1cc(OC(=O)c1ccc(cc1)(N+)(=O)(O))c(c2)Br)c1ccccc1
ethyl6bromo5(((4nitrophenyl)carbonyl)oxy)2phenyl1benzofuran3carboxylate
ETHYL6BROMO5((4NITROBENZOYL)OXY)2PHENYL1BENZOFURAN3CARBOXYLATE
ETHYL6BROMO5(4NITROBENZOYL)OXY2PHENYL1BENZOFURAN3CARBOXYLATE
InChI=1SC24H16BrNO7c123124(28)21171220(3323(27)1581016(11915)26(29)30)18(25)1319(17)3222(21)146435714h313H2H21H3
MFCD02166977
ZINC000001799016
ZINC01799016
ZINC1799016

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Available files

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