Vitas-M small molecule compound

1,2-dimethoxy-4-nitro-5-(prop-2-en-1-yl)benzene

Catalog ID
STK101817
SMILES C=CCc1cc(OC)c(cc1[N+](=O)[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 C11H13NO4 MW 223.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13NO4/c1-4-5-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4,6-7H,1,5H2,2-3H3
InChIKey
FXOMPVFKZJOZFE-UHFFFAOYSA-N
Synonyms
76936-55-5
12DIMETHOXY4NITRO5(PROP2EN1YL)BENZENE
12DIMETHOXY4NITRO5PROP2ENYLBENZENE
12DIMETHOXY5NITRO4(2PROPENYL)BENZENE
4ALLYL12DIMETHOXY5NITROBENZENE
76936555
C=CCc1cc(OC)c(cc1(N+)(=O)(O))OC
COC1=C(C=C(C(=C1)CC=C)(N+)(=O)(O))OC
InChI=1SC11H13NO4c1458610(152)11(163)79(8)12(13)14h467H15H223H3
MFCD06001181
ZINC000001077665
ZINC01077665
ZINC1077665

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Available files

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