Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403008
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)c(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)c1cccs1
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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 C27H30N2O7S2 MW 558.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7S2/c1-4-35-21-14-17(12-19(26(21)31)29(33)34)24-23(27(32)36-8-10-37-5-2)15(3)28-18-11-16(13-20(30)25(18)24)22-7-6-9-38-22/h6-7,9,12,14,16,24,28,31H,4-5,8,10-11,13H2,1-3H3InChIKey
MEJWMKDYRGRMQG-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCSCC)C
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OCC)c(c(c1)(N+)(=O)(O))O)C(=O)CC(C2)c1cccs1
InChI=1SC27H30N2O7S2c1435211417(1219(26(21)31)29(33)34)2423(27(32)368103752)15(3)28181116(1320(30)25(18)24)227693822h679121416242831H458101113H213H3
MFCD03371023
ZINC000097939691
ZINC000097939694
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