Vitas-M small molecule compound

prop-2-en-1-yl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK407230
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CCC2

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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 C22H24BrNO5 MW 462.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrNO5/c1-5-9-29-22(26)19-12(2)24-15-7-6-8-16(25)21(15)20(19)13-10-17(27-3)18(28-4)11-14(13)23/h5,10-11,20,24H,1,6-9H2,2-4H3
InChIKey
MRJLBWKAGPYOSF-UHFFFAOYSA-N
Synonyms
313244-50-7
313244507
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3Br)OC)OC)C(=O)OCC=C
InChI=1SC22H24BrNO5c1592922(26)1912(2)241576816(25)21(15)20(19)131017(273)18(284)1114(13)23h510112024H169H224H3
MFCD01367219
prop2en1yl4(2bromo45dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(2bromo45dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002082995
ZINC000002082996

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Available files

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