Vitas-M small molecule compound
diethyl 4-(2-fluorophenyl)-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK776001
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)NC(=C(C2c1ccccc1F)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 C28H30FNO5S MW 511.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FNO5S/c1-4-10-19-25(28(33)35-6-3)22(16-11-7-8-12-18(16)29)24-20(30-19)15-17(21-13-9-14-36-21)23(26(24)31)27(32)34-5-2/h7-9,11-14,17,22-23,30H,4-6,10,15H2,1-3H3InChIKey
CSRXMRIKQNNVHE-UHFFFAOYSA-NSynonyms
CCCC1=C(C(C2=C(N1)CC(C(C2=O)C(=O)OCC)C3=CC=CS3)C4=CC=CC=C4F)C(=O)OCC
diethyl4(2fluorophenyl)5oxo2propyl7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl4(2fluorophenyl)5oxo2propyl7thiophen2yl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC28H30FNO5Sc14101925(28(33)3563)22(1611781218(16)29)2420(3019)1517(21139143621)23(26(24)31)27(32)3452h79111417222330H461015H213H3
MFCD05258345
ZINC000019857826
ZINC000036037422
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