Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405348
SMILES CSc1ccc(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 C27H29NO4S2 MW 495.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4S2/c1-16-24(27(30)32-15-19-5-3-11-31-19)25(17-7-9-20(33-2)10-8-17)26-21(28-16)13-18(14-22(26)29)23-6-4-12-34-23/h4,6-10,12,18-19,25,28H,3,5,11,13-15H2,1-2H3InChIKey
FYBONLHPNXWSLB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)SC)C(=O)OCC5CCCO5
InChI=1SC27H29NO4S2c11624(27(30)32151953113119)25(177920(332)10817)2621(2816)1318(1422(26)29)2364123423h46101218192528H35111315H212H3
MFCD03999945
oxolan2ylmethyl2methyl4(4methylsulfanylphenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl2methyl4(4(methylsulfanyl)phenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000020293456
ZINC000229940023
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