Vitas-M small molecule compound
dimethyl 4-(3-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776128
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccc(c1)F)C(=C(N2)C)C(=O)OC)c1cccs1
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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 C24H22FNO5S MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FNO5S/c1-12-18(23(28)30-2)19(13-6-4-7-14(25)10-13)21-16(26-12)11-15(17-8-5-9-32-17)20(22(21)27)24(29)31-3/h4-10,15,19-20,26H,11H2,1-3H3InChIKey
NTZSCVBZMHMKHB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OC)C3=CC=CS3)C4=CC(=CC=C4)F)C(=O)OC
dimethyl4(3fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl4(3fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC24H22FNO5Sc11218(23(28)302)19(1364714(25)1013)2116(2612)1115(178593217)20(22(21)27)24(29)313h41015192026H11H213H3
MFCD05258530
ZINC000019857970
ZINC000217605070
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