Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK070271
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)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 C27H31NO4S2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4S2/c1-4-31-20-10-8-18(9-11-20)25-24(27(30)32-12-14-33-5-2)17(3)28-21-15-19(16-22(29)26(21)25)23-7-6-13-34-23/h6-11,13,19,25,28H,4-5,12,14-16H2,1-3H3InChIKey
UUWFDEVABYCSCA-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(4ethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4ethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCCSCC)C
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)CC(C2)c1cccs1
InChI=1SC27H31NO4S2c14312010818(91120)2524(27(30)3212143352)17(3)28211519(1622(29)26(21)25)2376133423h61113192528H45121416H213H3
MFCD02627346
STK070271
ZINC000009635641
ZINC000009635708
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