Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406151
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)F)C(=O)OCC1CCCO1
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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 C30H31ClFNO6 MW 556.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClFNO6/c1-3-37-25-14-19(11-22(31)29(25)35)27-26(30(36)39-15-21-5-4-10-38-21)16(2)33-23-12-18(13-24(34)28(23)27)17-6-8-20(32)9-7-17/h6-9,11,14,18,21,27,33,35H,3-5,10,12-13,15H2,1-2H3InChIKey
OMEPAFNYWRWEQK-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)F)NC(=C2C(=O)OCC5CCCO5)C)Cl)O
InChI=1SC30H31ClFNO6c1337251419(1122(31)29(25)35)2726(30(36)39152154103821)16(2)33231218(1324(34)28(23)27)176820(32)9717h6911141821273335H3510121315H212H3
MFCD05986961
oxolan2ylmethyl4(3chloro5ethoxy4hydroxyphenyl)7(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3chloro5ethoxy4hydroxyphenyl)7(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001132171
ZINC000229948809
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