Vitas-M small molecule compound
diethyl 4-(2,3-dichlorophenyl)-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683618
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)CCC)C(=O)OCC)c1cccc(c1Cl)Cl)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 C28H29Cl2NO5S MW 562.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29Cl2NO5S/c1-4-9-18-24(28(34)36-6-3)21(15-10-7-11-17(29)25(15)30)23-19(31-18)14-16(20-12-8-13-37-20)22(26(23)32)27(33)35-5-2/h7-8,10-13,16,21-22,31H,4-6,9,14H2,1-3H3InChIKey
XXBRCQBGNVBHRO-UHFFFAOYSA-NSynonyms
CCCC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OCC)C3=CC=CS3)C4=C(C(=CC=C4)Cl)Cl)C(=O)OCC
diethyl4(23dichlorophenyl)5oxo2propyl7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl4(23dichlorophenyl)5oxo2propyl7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC28H29Cl2NO5Sc1491824(28(34)3663)21(151071117(29)25(15)30)2319(3118)1416(20128133720)22(26(23)32)27(33)3552h78101316212231H46914H213H3
MFCD05258399
ZINC000001422870
ZINC000217601539
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