Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405644
SMILES COc1cc(Br)c(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 C28H30BrNO6S MW 588.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO6S/c1-15-25(28(32)36-14-17-6-4-8-35-17)26(18-12-22(33-2)23(34-3)13-19(18)29)27-20(30-15)10-16(11-21(27)31)24-7-5-9-37-24/h5,7,9,12-13,16-17,26,30H,4,6,8,10-11,14H2,1-3H3InChIKey
GBVIOVMRLAXHNM-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4Br)OC)OC)C(=O)OCC5CCCO5
InChI=1SC28H30BrNO6Sc11525(28(32)3614176483517)26(181222(332)23(343)1319(18)29)2720(3015)1016(1121(27)31)247593724h579121316172630H468101114H213H3
MFCD04210880
oxolan2ylmethyl4(2bromo45dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(2bromo45dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000059587115
ZINC000229947484
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