Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(acetyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407415
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)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 C26H31NO7S MW 501.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO7S/c1-6-35-12-11-33-26(31)21-15(3)27-19-13-14(2)20(25(30)32-5)24(29)23(19)22(21)17-7-9-18(10-8-17)34-16(4)28/h7-10,14,20,22,27H,6,11-13H2,1-5H3InChIKey
OMFYJLGJUIYCMO-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(4(acetyloxy)phenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(4acetyloxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC26H31NO7Sc163512113326(31)2115(3)27191314(2)20(25(30)325)24(29)23(19)22(21)177918(10817)3416(4)28h71014202227H61113H215H3
MFCD04057064
ZINC000020190600
ZINC000035396062
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