Vitas-M small molecule compound
2-phenoxyethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363468
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1
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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 C26H27NO4S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4S/c1-17-23(26(29)31-16-15-30-19-7-4-3-5-8-19)24(18-11-13-20(32-2)14-12-18)25-21(27-17)9-6-10-22(25)28/h3-5,7-8,11-14,24,27H,6,9-10,15-16H2,1-2H3InChIKey
FAXQLLHDVQJTKP-UHFFFAOYSA-NSynonyms
2phenoxyethyl2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)OCCOC4=CC=CC=C4
InChI=1SC26H27NO4Sc11723(26(29)31161530197435819)24(18111320(322)141218)2521(2717)961022(25)28h357811142427H69101516H212H3
MFCD01193812
ZINC000002757656
ZINC000002757657
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