Vitas-M small molecule compound

4,5-dimethoxy-2-(1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK802411
SMILES COc1cc(n2cccc2)c(cc1OC)C(=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 C13H13NO4 MW 247.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO4/c1-17-11-7-9(13(15)16)10(8-12(11)18-2)14-5-3-4-6-14/h3-8H,1-2H3,(H,15,16)
InChIKey
POCCMFYSLDOPPP-UHFFFAOYSA-N
Synonyms
55540-38-0
45dimethoxy2(1Hpyrrol1yl)benzoicacid
45dimethoxy2pyrrol1ylbenzoicacid
55540380
COC1=C(C=C(C(=C1)C(=O)O)N2C=CC=C2)OC
InChI=1SC13H13NO4c1171179(13(15)16)10(812(11)182)14534614h38H12H3(H1516)
MFCD09736022
ZINC000022214471
ZINC22214471

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Available files

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