Vitas-M small molecule compound
diethyl 2-amino-1-(3,5-dichlorophenyl)-5-oxo-4-(pyridin-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684940
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1cc(Cl)cc(c1)Cl)C(=C(C2c1cccnc1)C(=O)OCC)N
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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 C30H27Cl2N3O5S MW 612.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27Cl2N3O5S/c1-3-39-29(37)24-20(22-8-6-10-41-22)14-21-25(27(24)36)23(16-7-5-9-34-15-16)26(30(38)40-4-2)28(33)35(21)19-12-17(31)11-18(32)13-19/h5-13,15,20,23-24H,3-4,14,33H2,1-2H3InChIKey
FCIUIFVNXFMSJY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC(=C3)Cl)Cl)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CS5
diethyl2amino1(35dichlorophenyl)5oxo4(pyridin3yl)7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(35dichlorophenyl)5oxo4pyridin3yl7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC30H27Cl2N3O5Sc133929(37)2420(2286104122)142125(27(24)36)23(16759341516)26(30(38)4042)28(33)35(21)191217(31)1118(32)1319h51315202324H341433H212H3
MFCD05856607
ZINC000100173558
ZINC000103015587
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