Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(2-chlorophenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403162
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1ccccc1Cl
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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 C31H30ClNO5S MW 564.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClNO5S/c1-4-39-12-11-37-31(36)27-18(3)33-24-14-19(20-7-5-6-8-23(20)32)15-25(34)29(24)28(27)22-16-38-26-10-9-17(2)13-21(26)30(22)35/h5-10,13,16,19,28,33H,4,11-12,14-15H2,1-3H3InChIKey
CNPJORRGCZZAMZ-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(2chlorophenyl)2methyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(2chlorophenyl)2methyl4(6methyl4oxochromen3yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)C5=CC=CC=C5Cl)C
InChI=1SC31H30ClNO5Sc143912113731(36)2718(3)33241419(20756823(20)32)1525(34)29(24)28(27)2216382610917(2)1321(26)30(22)35h5101316192833H411121415H213H3
MFCD03371122
ZINC000002727144
ZINC000002727147
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