Vitas-M small molecule compound
butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK091414
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(CC)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 C27H35NO6 MW 469.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO6/c1-8-15(3)33-26(31)23-16(4)28-19-13-27(6,7)14-20(30)25(19)24(23)18-10-11-21(34-17(5)29)22(12-18)32-9-2/h10-12,15,24,28H,8-9,13-14H2,1-7H3InChIKey
HWWIQHBGJZJJPS-UHFFFAOYSA-NSynonyms
butan2yl4(4(acetyloxy)3ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4acetyloxy3ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OCC)C(=O)CC(C2)(C)C)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC(CC)C
InChI=1SC27H35NO6c1815(3)3326(31)2316(4)28191327(67)1420(30)25(19)24(23)18101121(3417(5)29)22(1218)3292h1012152428H891314H217H3
MFCD02188024
STK091414
ZINC000000716991
ZINC000000716994
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