Vitas-M small molecule compound

ethyl 4-[(1E)-1-chloronon-1-en-1-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Catalog ID
STK677495
SMILES CCCCCCC/C=C(\c1c(C)[nH]c(c1C)C(=O)OCC)/Cl

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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 C18H28ClNO2 MW 325.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28ClNO2/c1-5-7-8-9-10-11-12-15(19)16-13(3)17(20-14(16)4)18(21)22-6-2/h12,20H,5-11H2,1-4H3/b15-12+
InChIKey
AFDQUKBFKJMMIA-NTCAYCPXSA-N
Synonyms

CCCCCCCC=C(C1=C(NC(=C1C)C(=O)OCC)C)Cl
CCCCCCCC=C(c1c(C)(nH)c(c1C)C(=O)OCC)Cl
ethyl4((1E)1chloronon1en1yl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((1E)1CHLORONON1ENYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)1CHLORONON1ENYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC18H28ClNO2c1578910111215(19)1613(3)17(2014(16)4)18(21)2262h1220H511H214H3b1512+
MFCD02933555
ZINC000002192067
ZINC2192067

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Available files

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