Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 4-(3-methoxy-4-propoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK068607
SMILES CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOC(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 C28H39NO6 MW 485.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO6/c1-8-11-34-22-10-9-19(14-23(22)32-7)25-24(27(31)35-13-12-33-17(2)3)18(4)29-20-15-28(5,6)16-21(30)26(20)25/h9-10,14,17,25,29H,8,11-13,15-16H2,1-7H3InChIKey
GTBBOWIFVSZVKJ-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(3methoxy4propoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC(C)C)C)OC
CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOC(C)C
InChI=1SC28H39NO6c1811342210919(1423(22)327)2524(27(31)3513123317(2)3)18(4)29201528(56)1621(30)26(20)25h91014172529H811131516H217H3
MFCD02188568
STK068607
ZINC000009554035
ZINC000009554112
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