Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK015037
SMILES COc1ccc(c(c1OC)OC)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/c1-16-24(29(32)37-15-18-7-5-11-36-18)25(19-9-10-22(33-2)28(35-4)27(19)34-3)26-20(30-16)13-17(14-21(26)31)23-8-6-12-38-23/h6,8-10,12,17-18,25,30H,5,7,11,13-15H2,1-4H3InChIKey
QVPGNMYQGTVHAB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)OCC5CCCO5
COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1
InChI=1SC29H33NO7Sc11624(29(32)37151875113618)25(1991022(332)28(354)27(19)343)2620(3016)1317(1421(26)31)2386123823h68101217182530H57111315H214H3
MFCD02868520
oxolan2ylmethyl2methyl5oxo7thiophen2yl4(234trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK015037
tetrahydrofuran2ylmethyl2methyl5oxo7(thiophen2yl)4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
ZINC000000717493
ZINC000169616649
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