Vitas-M small molecule compound

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

Catalog ID
STK388041
SMILES O=C(c1ccc(cc1)[N+](=O)[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 C16H11N3O9 MW 389.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O9/c1-9-13(6-12(18(24)25)7-14(9)19(26)27)16(21)28-8-15(20)10-2-4-11(5-3-10)17(22)23/h2-7H,8H2,1H3
InChIKey
ZIOQMCTYBWBPPX-UHFFFAOYSA-N
Synonyms
438541-34-5
(2(4NITROPHENYL)2OXOETHYL)2METHYL35DINITROBENZOATE
2(4NITROPHENYL)2OXOETHYL2METHYL35DINITROBENZOATE
438541345
CC1=C(C=C(C=C1C(=O)OCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC16H11N3O9c1913(612(18(24)25)714(9)19(26)27)16(21)28815(20)102411(5310)17(22)23h27H8H21H3
MFCD00502362
O=C(c1ccc(cc1)(N+)(=O)(O))COC(=O)c1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O)
ZINC000001859774
ZINC1859774

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Available files

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