Vitas-M small molecule compound

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

Catalog ID
STK539627
SMILES CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)OC

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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/c1-3-32-25(28)22-20-14-19(33-24(27)16-5-4-6-17(13-16)26(29)30)11-12-21(20)34-23(22)15-7-9-18(31-2)10-8-15/h4-14H,3H2,1-2H3
InChIKey
XIDCKMYNRMGUJG-UHFFFAOYSA-N
Synonyms
384349-58-0
3(ETHOXYCARBONYL)2(4METHOXYPHENYL)BENZO(B)FURAN5YL3NITROBENZOATE
384349580
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=C(C=C4)OC
CCOC(=O)c1c(oc2c1cc(cc2)OC(=O)c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)OC
ethyl2(4methoxyphenyl)5(((3nitrophenyl)carbonyl)oxy)1benzofuran3carboxylate
ethyl2(4methoxyphenyl)5((3nitrobenzoyl)oxy)benzofuran3carboxylate
ETHYL2(4METHOXYPHENYL)5(3NITROBENZOYL)OXY1BENZOFURAN3CARBOXYLATE
InChI=1SC25H19NO8c133225(28)22201419(3324(27)1654617(1316)26(29)30)111221(20)3423(22)157918(312)10815h414H3H212H3
MFCD03285157
ZINC000008922851
ZINC08922851
ZINC8922851

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Available files

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