Vitas-M small molecule compound

5-methyl-2-(4-nitrophenyl)-1,3-dioxane-5-carboxylic acid

Catalog ID
STK663634
SMILES OC(=O)C1(C)COC(OC1)c1ccc(cc1)[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 C12H13NO6 MW 267.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO6/c1-12(11(14)15)6-18-10(19-7-12)8-2-4-9(5-3-8)13(16)17/h2-5,10H,6-7H2,1H3,(H,14,15)
InChIKey
RHBFUMRYUOSFNM-UHFFFAOYSA-N
Synonyms
385375-27-9
385375279
5METHYL2(4NITROPHENYL)(13)DIOXANE5CARBOXYLICACID
5methyl2(4nitrophenyl)13dioxane5carboxylicacid
CC1(COC(OC1)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)O
InChI=1SC12H13NO6c112(11(14)15)61810(19712)8249(538)13(16)17h2510H67H21H3(H1415)
MFCD02625728
OC(=O)C1(C)COC(OC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000000087581
ZINC87581

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Available files

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