Vitas-M small molecule compound
cyclohexyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372644
SMILES CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
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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 C27H33NO5 MW 451.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO5/c1-16-23(26(31)33-19-8-6-5-7-9-19)24(18-10-12-20(13-11-18)32-17(2)29)25-21(28-16)14-27(3,4)15-22(25)30/h10-13,19,24,28H,5-9,14-15H2,1-4H3InChIKey
JIKWEXGASHVISE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)OC4CCCCC4
cyclohexyl4(4(acetyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(4acetyloxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H33NO5c11623(26(31)33198657919)24(18101220(131118)3217(2)29)2521(2816)1427(34)1522(25)30h1013192428H591415H214H3
MFCD00753389
ZINC000019637948
ZINC000019637952
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Check stock on Vitas-MAvailable files
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