Vitas-M small molecule compound

2-(4-nitrophenyl)-2-oxoethyl 2-{[(2,4-dinitrophenyl)carbonyl]amino}benzoate

Catalog ID
STK247395
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])COC(=O)c1ccccc1NC(=O)c1ccc(cc1[N+](=O)[O-])[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 C22H14N4O10 MW 494.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N4O10/c27-20(13-5-7-14(8-6-13)24(30)31)12-36-22(29)16-3-1-2-4-18(16)23-21(28)17-10-9-15(25(32)33)11-19(17)26(34)35/h1-11H,12H2,(H,23,28)
InChIKey
KGMRIFDTKMSSJD-UHFFFAOYSA-N
Synonyms

(2(4NITROPHENYL)2OXOETHYL)2((24DINITROBENZOYL)AMINO)BENZOATE
2(4NITROPHENYL)2OXOETHYL2(((24DINITROPHENYL)CARBONYL)AMINO)BENZOATE
C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H14N4O10c2720(135714(8613)24(30)31)123622(29)16312418(16)2321(28)1710915(25(32)33)1119(17)26(34)35h111H12H2(H2328)
MFCD01174377
O=C(c1ccc(cc1)(N+)(=O)(O))COC(=O)c1ccccc1NC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
ZINC000102593744
ZINC102593744

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Available files

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