Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372346
SMILES CC(Oc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1)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 C29H33NO4 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO4/c1-18(2)34-24-14-10-9-13-21(24)26-25(28(32)33-17-20-11-7-6-8-12-20)19(3)30-22-15-29(4,5)16-23(31)27(22)26/h6-14,18,26,30H,15-17H2,1-5H3InChIKey
GVCHAAWXLMRZIJ-UHFFFAOYSA-NSynonyms
benzyl277trimethyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4(2propan2yloxyphenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC(C)C)C(=O)OCC4=CC=CC=C4
InChI=1SC29H33NO4c118(2)3424141091321(24)2625(28(32)331720117681220)19(3)30221529(45)1623(31)27(22)26h614182630H1517H215H3
MFCD00753388
ZINC000019536714
ZINC000019536716
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