Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004176
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)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 C29H33NO7S MW 539.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO7S/c1-16-25(29(32)37-15-19-7-5-9-36-19)26(18-13-22(33-2)28(35-4)23(14-18)34-3)27-20(30-16)11-17(12-21(27)31)24-8-6-10-38-24/h6,8,10,13-14,17,19,26,30H,5,7,9,11-12,15H2,1-4H3InChIKey
VIKNSJMYTVRLNG-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OCC5CCCO5
COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC29H33NO7Sc11625(29(32)3715197593619)26(181322(332)28(354)23(1418)343)2720(3016)1117(1221(27)31)2486103824h6810131417192630H579111215H214H3
MFCD02868536
oxolan2ylmethyl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK004176
tetrahydrofuran2ylmethyl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
ZINC000001456586
ZINC000169686684
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