Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407408
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[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 C25H30N2O7S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O7S/c1-6-35-10-9-34-25(30)20-15(4)26-17-11-14(3)19(24(29)33-5)23(28)22(17)21(20)16-8-7-13(2)18(12-16)27(31)32/h7-8,12,14,19,21,26H,6,9-11H2,1-5H3InChIKey
NKWLCUSQAKKJBF-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)C(C(C2)C)C(=O)OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)(N+)(=O)(O))C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H30N2O7Sc16351093425(30)2015(4)26171114(3)19(24(29)335)23(28)22(17)21(20)168713(2)18(1216)27(31)32h781214192126H6911H215H3
MFCD04057057
ZINC000002806083
ZINC000035395976
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