Vitas-M small molecule compound
2-methylpropyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403132
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC(C)C
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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 C27H31NO5S MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S/c1-5-32-22-13-17(8-9-20(22)29)25-24(27(31)33-14-15(2)3)16(4)28-19-11-18(12-21(30)26(19)25)23-7-6-10-34-23/h6-10,13,15,18,25,28-29H,5,11-12,14H2,1-4H3InChIKey
ITYYCNUNQXVOOZ-UHFFFAOYSA-NSynonyms
2methylpropyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methylpropyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OCC(C)C)C)O
InChI=1SC27H31NO5Sc1532221317(8920(22)29)2524(27(31)331415(2)3)16(4)28191118(1221(30)26(19)25)2376103423h610131518252829H5111214H214H3
MFCD03146544
ZINC000009805066
ZINC000009805069
Check stock
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