Vitas-M small molecule compound

ethyl 4-butyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Catalog ID
STK683409
SMILES CCCCc1c(C)[nH]c(c1C)C(=O)OCC

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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 C13H21NO2 MW 223.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21NO2/c1-5-7-8-11-9(3)12(14-10(11)4)13(15)16-6-2/h14H,5-8H2,1-4H3
InChIKey
STNGULMWFPMOCE-UHFFFAOYSA-N
Synonyms
34549-87-6
1HPYRROLE2CARBOXYLICACID4BUTYL35DIMETHYLETHYLESTER
34549876
35DIMETHYL4BUTYL1HPYRROLE2CARBOXYLICACIDETHYLESTER
4BUTYL35DIMETHYL1HPYRROLE2CARBOXYLICACIDETHYLESTER
CCCCC1=C(NC(=C1C)C(=O)OCC)C
CCCCc1c(C)(nH)c(c1C)C(=O)OCC
ethyl4butyl35dimethyl1Hpyrrole2carboxylate
ETHYL4BUTYL35DIMETHYLPYRROLE2CARBOXYLATE
InChI=1SC13H21NO2c1578119(3)12(1410(11)4)13(15)1662h14H58H214H3
MFCD00999967
ZINC000002571634
ZINC02571634
ZINC2571634

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Available files

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