Vitas-M small molecule compound
diethyl 5-oxo-2-propyl-4-(pyridin-2-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK775954
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)NC(=C(C2c1ccccn1)C(=O)OCC)CCC
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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 C27H30N2O5S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5S/c1-4-10-18-24(27(32)34-6-3)22(17-11-7-8-13-28-17)23-19(29-18)15-16(20-12-9-14-35-20)21(25(23)30)26(31)33-5-2/h7-9,11-14,16,21-22,29H,4-6,10,15H2,1-3H3InChIKey
KLZFHBOXQSQEFN-UHFFFAOYSA-NSynonyms
CCCC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OCC)C3=CC=CS3)C4=CC=CC=N4)C(=O)OCC
diethyl5oxo2propyl4(pyridin2yl)7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl5oxo2propyl4pyridin2yl7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC27H30N2O5Sc14101824(27(32)3463)22(171178132817)2319(2918)1516(20129143520)21(25(23)30)26(31)3352h79111416212229H461015H213H3
MFCD05258182
ZINC000001422756
ZINC000036037383
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