Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407435
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)c(c(c1)[N+](=O)[O-])O)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 C26H32N2O9S MW 548.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O9S/c1-6-36-18-12-15(11-17(23(18)29)28(33)34)21-20(26(32)37-8-9-38-7-2)14(4)27-16-10-13(3)19(25(31)35-5)24(30)22(16)21/h11-13,19,21,27,29H,6-10H2,1-5H3InChIKey
UBFGCJJWQOWZEC-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(3ethoxy4hydroxy5nitrophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(3ethoxy4hydroxy5nitrophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)c(c(c1)(N+)(=O)(O))O)C(=O)C(C(C2)C)C(=O)OC
InChI=1SC26H32N2O9Sc1636181215(1117(23(18)29)28(33)34)2120(26(32)37893872)14(4)27161013(3)19(25(31)355)24(30)22(16)21h111319212729H610H215H3
MFCD04057084
ZINC000029752953
ZINC000102554811
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Check stock on Vitas-MAvailable files
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