Vitas-M small molecule compound

dimethyl [1-(4-methylphenyl)-2-nitroethyl]propanedioate

Catalog ID
STK728503
SMILES COC(=O)C(C(c1ccc(cc1)C)C[N+](=O)[O-])C(=O)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 C14H17NO6 MW 295.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO6/c1-9-4-6-10(7-5-9)11(8-15(18)19)12(13(16)20-2)14(17)21-3/h4-7,11-12H,8H2,1-3H3
InChIKey
CFNLQAIKBRQDQG-UHFFFAOYSA-N
Synonyms
100719-33-3
100719333
CC1=CC=C(C=C1)C(C(N+)(=O)(O))C(C(=O)OC)C(=O)OC
COC(=O)C(C(c1ccc(cc1)C)C(N+)(=O)(O))C(=O)OC
dimethyl(1(4methylphenyl)2nitroethyl)propanedioate
DIMETHYL2(1(4METHYLPHENYL)2NITROETHYL)PROPANEDIOATE
dimethyl2(2nitro1(ptolyl)ethyl)malonate
InChI=1SC14H17NO6c194610(759)11(815(18)19)12(13(16)202)14(17)213h471112H8H213H3
METHYL2METHOXYCARBONYL3(4METHYLPHENYL)4NITROBUTANOATE
MFCD02988812
PROPANEDIOICACID(1(4METHYLPHENYL)2NITROETHYL)DIMETHYLESTER
ZINC000002228212
ZINC000002228214

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Available files

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