Vitas-M small molecule compound

methyl 7-(4-fluorophenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406096
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(s1)C)C(=O)CC(C2)c1ccc(cc1)F

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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 C23H22FNO3S MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FNO3S/c1-12-4-9-19(29-12)22-20(23(27)28-3)13(2)25-17-10-15(11-18(26)21(17)22)14-5-7-16(24)8-6-14/h4-9,15,22,25H,10-11H2,1-3H3
InChIKey
CSMXMKZRGCTLGI-UHFFFAOYSA-N
Synonyms

CC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC(=C2C(=O)OC)C
InChI=1SC23H22FNO3Sc1124919(2912)2220(23(27)283)13(2)25171015(1118(26)21(17)22)145716(24)8614h49152225H1011H213H3
methyl7(4fluorophenyl)2methyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4fluorophenyl)2methyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD04215975
ZINC000004997492
ZINC000004997496

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Available files

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