Vitas-M small molecule compound
cyclohexyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372328
SMILES CC(Oc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1)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 C28H37NO4 MW 451.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO4/c1-17(2)32-23-14-10-9-13-20(23)25-24(27(31)33-19-11-7-6-8-12-19)18(3)29-21-15-28(4,5)16-22(30)26(21)25/h9-10,13-14,17,19,25,29H,6-8,11-12,15-16H2,1-5H3InChIKey
OXESXFBETCKJKL-UHFFFAOYSA-NSynonyms
299451-05-1299451051
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC(C)C)C(=O)OC4CCCCC4
cyclohexyl277trimethyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
cyclohexyl277trimethyl5oxo4(2propan2yloxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC28H37NO4c117(2)3223141091320(23)2524(27(31)3319117681219)18(3)29211528(45)1622(30)26(21)25h910131417192529H6811121516H215H3
MFCD00717823
ZINC000002069338
ZINC000002069339
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