Vitas-M small molecule compound
3-ethyl 6-methyl 2,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407491
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)C(C(C2)C)C(=O)OC
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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 C23H27NO5S MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5S/c1-6-29-23(27)18-13(3)24-16-11-12(2)17(22(26)28-4)21(25)20(16)19(18)14-7-9-15(30-5)10-8-14/h7-10,12,17,19,24H,6,11H2,1-5H3InChIKey
UYCIPTOEAMTISB-UHFFFAOYSA-NSynonyms
3ethyl6methyl27dimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Oethyl6Omethyl27dimethyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC23H27NO5Sc162923(27)1813(3)24161112(2)17(22(26)284)21(25)20(16)19(18)147915(305)10814h71012171924H611H215H3
MFCD04057140
ZINC000003631485
ZINC000033936410
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