Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK050783
SMILES COc1cccc(c1OC)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 C28H31NO6S MW 509.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6S/c1-16-24(28(31)35-15-18-7-5-11-34-18)25(19-8-4-9-22(32-2)27(19)33-3)26-20(29-16)13-17(14-21(26)30)23-10-6-12-36-23/h4,6,8-10,12,17-18,25,29H,5,7,11,13-15H2,1-3H3InChIKey
DRTWVYAWCLDIPI-UHFFFAOYSA-NSynonyms
439588-39-3439588393
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)C(=O)OCC5CCCO5
COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC28H31NO6Sc11624(28(31)35151875113418)25(1984922(322)27(19)333)2620(2916)1317(1421(26)30)23106123623h468101217182529H57111315H213H3
MFCD02627287
oxolan2ylmethyl4(23dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK050783
tetrahydrofuran2ylmethyl4(23dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000020130376
ZINC000229945534
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