Vitas-M small molecule compound
methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956221
SMILES COC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccccc1Cl)CC)C(=O)CCC2
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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 C25H26ClNO4S MW 472.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO4S/c1-4-20-15(13-31-19-11-6-5-8-16(19)26)12-21(32-20)24-22(25(29)30-3)14(2)27-17-9-7-10-18(28)23(17)24/h5-6,8,11-12,24,27H,4,7,9-10,13H2,1-3H3InChIKey
KGTIMPYQSCHGKF-UHFFFAOYSA-NSynonyms
438224-34-1438224341
CCC1=C(C=C(S1)C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C)COC4=CC=CC=C4Cl
InChI=1SC25H26ClNO4Sc142015(1331191165816(19)26)1221(3220)2422(25(29)303)14(2)2717971018(28)23(17)24h56811122427H4791013H213H3
methyl4(4((2chlorophenoxy)methyl)5ethylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((2chlorophenoxy)methyl)5ethylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03074811
ZINC000008441818
ZINC000008441820
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