Vitas-M small molecule compound
benzyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK097937
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
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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 C25H25NO3S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO3S/c1-16-22(25(28)29-15-17-7-4-3-5-8-17)23(18-11-13-19(30-2)14-12-18)24-20(26-16)9-6-10-21(24)27/h3-5,7-8,11-14,23,26H,6,9-10,15H2,1-2H3InChIKey
PVGRDXXFNJVDGF-UHFFFAOYSA-NSynonyms
benzyl2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)OCC4=CC=CC=C4
CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
InChI=1SC25H25NO3Sc11622(25(28)2915177435817)23(18111319(302)141218)2420(2616)961021(24)27h357811142326H691015H212H3
MFCD02375870
STK097937
ZINC000019925455
ZINC000019925457
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