Vitas-M small molecule compound

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

Catalog ID
STK363219
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(C)C

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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/c1-6-12-29-19-11-10-16(13-20(19)28-5)22-21(24(27)30-14(2)3)15(4)25-17-8-7-9-18(26)23(17)22/h10-11,13-14,22,25H,6-9,12H2,1-5H3
InChIKey
LBGSUEVJJKMYDJ-UHFFFAOYSA-N
Synonyms
299451-94-8
299451948
CCCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC(C)C)C)OC
InChI=1SC24H31NO5c16122919111016(1320(19)285)2221(24(27)3014(2)3)15(4)251787918(26)23(17)22h101113142225H6912H215H3
MFCD00752944
propan2yl4(3methoxy4propoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3methoxy4propoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000004062216
ZINC000004062218

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Available files

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