Vitas-M small molecule compound

propyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372382
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCCC)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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-5-12-29-19-11-10-16(14-20(19)28-4)22-21(24(27)30-13-6-2)15(3)25-17-8-7-9-18(26)23(17)22/h10-11,14,22,25H,5-9,12-13H2,1-4H3
InChIKey
KSZICRVBQWJCOO-UHFFFAOYSA-N
Synonyms

CCCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCC)C)OC
InChI=1SC24H31NO5c15122919111016(1420(19)284)2221(24(27)301362)15(3)251787918(26)23(17)22h1011142225H591213H214H3
MFCD00752999
propyl4(3methoxy4propoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3methoxy4propoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000004062364
ZINC000004062369

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Available files

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