Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 7-(3-methoxyphenyl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045961
SMILES COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(s1)C)C(=O)OCCOC(C)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 C28H33NO5S MW 495.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO5S/c1-16(2)33-11-12-34-28(31)25-18(4)29-22-14-20(19-7-6-8-21(13-19)32-5)15-23(30)26(22)27(25)24-10-9-17(3)35-24/h6-10,13,16,20,27,29H,11-12,14-15H2,1-5H3InChIKey
LPLIEVJQPPVUTM-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl7(3methoxyphenyl)2methyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl7(3methoxyphenyl)2methyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=CC=C(S1)C2C3=C(CC(CC3=O)C4=CC(=CC=C4)OC)NC(=C2C(=O)OCCOC(C)C)C
COc1cccc(c1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(s1)C)C(=O)OCCOC(C)C)C
InChI=1SC28H33NO5Sc116(2)3311123428(31)2518(4)29221420(1976821(1319)325)1523(30)26(22)27(25)2410917(3)3524h6101316202729H11121415H215H3
MFCD03489127
STK045961
ZINC000009246583
ZINC000009246588
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