Vitas-M small molecule compound

dimethyl [2-bromo-1-(4-chlorophenyl)-2-nitroethyl]propanedioate

Catalog ID
STK537263
SMILES COC(=O)C(C(C([N+](=O)[O-])Br)c1ccc(cc1)Cl)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 C13H13BrClNO6 MW 394.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrClNO6/c1-21-12(17)10(13(18)22-2)9(11(14)16(19)20)7-3-5-8(15)6-4-7/h3-6,9-11H,1-2H3
InChIKey
PWNPQGKYCNNKRX-UHFFFAOYSA-N
Synonyms

(1(4CHLOROPHENYL)2NITRO2BROMOETHYL)MALONICACIDDIMETHYLESTER
COC(=O)C(C(C((N+)(=O)(O))Br)c1ccc(cc1)Cl)C(=O)OC
COC(=O)C(C(C1=CC=C(C=C1)Cl)C((N+)(=O)(O))Br)C(=O)OC
DIMETHYL((1R2R)2BROMO1(4CHLOROPHENYL)2NITROETHYL)PROPANEDIOATE
DIMETHYL((1S2R)2BROMO1(4CHLOROPHENYL)2NITROETHYL)PROPANEDIOATE
DIMETHYL((1S2S)2BROMO1(4CHLOROPHENYL)2NITROETHYL)PROPANEDIOATE
dimethyl(2bromo1(4chlorophenyl)2nitroethyl)propanedioate
dimethyl2(2bromo1(4chlorophenyl)2nitroethyl)malonate
DIMETHYL2(2BROMO1(4CHLOROPHENYL)2NITROETHYL)PROPANE13DIOATE
DIMETHYL2(2BROMO1(4CHLOROPHENYL)2NITROETHYL)PROPANEDIOATE
InChI=1SC13H13BrClNO6c12112(17)10(13(18)222)9(11(14)16(19)20)7358(15)647h36911H12H3
MFCD02988675
ZINC000001905532
ZINC000001905540

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Available files

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