Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 2,7,7-trimethyl-5-oxo-4-[4-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406525
SMILES CC(Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1)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 C27H35NO5 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO5/c1-16(2)33-19-10-8-18(9-11-19)24-23(26(30)32-15-20-7-6-12-31-20)17(3)28-21-13-27(4,5)14-22(29)25(21)24/h8-11,16,20,24,28H,6-7,12-15H2,1-5H3InChIKey
BVUQBVLLXBQCOE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC(C)C)C(=O)OCC4CCCO4
InChI=1SC27H35NO5c116(2)331910818(91119)2423(26(30)32152076123120)17(3)28211327(45)1422(29)25(21)24h81116202428H671215H215H3
MFCD06000606
oxolan2ylmethyl277trimethyl5oxo4(4propan2yloxyphenyl)1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl277trimethyl5oxo4(4(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
ZINC000002868644
ZINC000002868647
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