Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK075999
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)(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 C24H31NO3S MW 413.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO3S/c1-6-29-11-10-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-9-7-8-15(2)12-17/h7-9,12,21,25H,6,10-11,13-14H2,1-5H3
InChIKey
NPGVTPUVHZTSQK-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl277trimethyl4(3methylphenyl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl277trimethyl4(3methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)(C)C
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)C)C(=O)CC(C2)(C)C)C
InChI=1SC24H31NO3Sc162911102823(27)2016(3)25181324(45)1419(26)22(18)21(20)1797815(2)1217h79122125H610111314H215H3
MFCD02188782
STK075999
ZINC000002190646
ZINC000002190647

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Available files

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