Vitas-M small molecule compound
2-phenoxyethyl 4-(2-chloro-6-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK088272
SMILES O=C(C1=C(C)NC2=C(C1c1c(F)cccc1Cl)C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
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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 C29H25ClFNO4S MW 538.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClFNO4S/c1-17-25(29(34)36-13-12-35-19-7-3-2-4-8-19)28(26-20(30)9-5-10-21(26)31)27-22(32-17)15-18(16-23(27)33)24-11-6-14-37-24/h2-11,14,18,28,32H,12-13,15-16H2,1H3InChIKey
HKRXIBACXRHCJO-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2chloro6fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2chloro6fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC=C4Cl)F)C(=O)OCCOC5=CC=CC=C5
InChI=1SC29H25ClFNO4Sc11725(29(34)36131235197324819)28(2620(30)951021(26)31)2722(3217)1518(1623(27)33)24116143724h21114182832H12131516H21H3
MFCD03371119
O=C(C1=C(C)NC2=C(C1c1c(F)cccc1Cl)C(=O)CC(C2)c1cccs1)OCCOc1ccccc1
STK088272
ZINC000002727187
ZINC000002727190
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