Vitas-M small molecule compound

2-(4-chlorophenyl)-2-oxoethyl 2-methyl-3,5-dinitrobenzoate

Catalog ID
STK388048
SMILES Clc1ccc(cc1)C(=O)COC(=O)c1cc(cc(c1C)[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 C16H11ClN2O7 MW 378.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O7/c1-9-13(6-12(18(22)23)7-14(9)19(24)25)16(21)26-8-15(20)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3
InChIKey
JJUHSCKMQBIQMH-UHFFFAOYSA-N
Synonyms
312759-13-0
(2(4CHLOROPHENYL)2OXOETHYL)2METHYL35DINITROBENZOATE
2(4CHLOROPHENYL)2OXOETHYL2METHYL35DINITROBENZOATE
2METHYL35DINITROBENZOICACID2(4CHLOROPHENYL)2OXOETHYLESTER
312759130
CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)(N+)(=O)(O))(N+)(=O)(O)
Clc1ccc(cc1)C(=O)COC(=O)c1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC16H11ClN2O7c1913(612(18(22)23)714(9)19(24)25)16(21)26815(20)102411(17)5310h27H8H21H3
MFCD00502353
ZINC000001313380
ZINC01313380
ZINC1313380

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Available files

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