Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402930
SMILES COC(=O)c1ccc(cc1)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 C28H29NO6S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6S/c1-16-24(28(32)35-15-20-5-3-11-34-20)25(17-7-9-18(10-8-17)27(31)33-2)26-21(29-16)13-19(14-22(26)30)23-6-4-12-36-23/h4,6-10,12,19-20,25,29H,3,5,11,13-15H2,1-2H3InChIKey
IHNLWQHAPDVLCN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC)C(=O)OCC5CCCO5
InChI=1SC28H29NO6Sc11624(28(32)35152053113420)25(177918(10817)27(31)332)2621(2916)1319(1422(26)30)2364123623h46101219202529H35111315H212H3
MFCD03370960
oxolan2ylmethyl4(4methoxycarbonylphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4(methoxycarbonyl)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000001074596
ZINC000229932015
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