Vitas-M small molecule compound
ethyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK956212
SMILES CCOC(=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 C26H28ClNO4S MW 486.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClNO4S/c1-4-21-16(14-32-20-12-7-6-9-17(20)27)13-22(33-21)25-23(26(30)31-5-2)15(3)28-18-10-8-11-19(29)24(18)25/h6-7,9,12-13,25,28H,4-5,8,10-11,14H2,1-3H3InChIKey
GIFQHYUVBWVJDW-UHFFFAOYSA-NSynonyms
438224-14-7438224147
CCC1=C(C=C(S1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC)C)COC4=CC=CC=C4Cl
ethyl4(4((2chlorophenoxy)methyl)5ethylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((2chlorophenoxy)methyl)5ethylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H28ClNO4Sc142116(1432201276917(20)27)1322(3321)2523(26(30)3152)15(3)28181081119(29)24(18)25h67912132528H458101114H213H3
MFCD03074791
ZINC000020191218
ZINC000020191220
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