Vitas-M small molecule compound
benzyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK079862
SMILES CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C28H29NO5 MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO5/c1-17-24(27(32)33-16-19-8-6-5-7-9-19)25(20-10-12-21(13-11-20)34-18(2)30)26-22(29-17)14-28(3,4)15-23(26)31/h5-13,25,29H,14-16H2,1-4H3InChIKey
FAZOQLCWZUVIKA-UHFFFAOYSA-NSynonyms
benzyl4(4(acetyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(4acetyloxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)OCC4=CC=CC=C4
InChI=1SC28H29NO5c11724(27(32)3316198657919)25(20101221(131120)3418(2)30)2622(2917)1428(34)1523(26)31h5132529H1416H214H3
MFCD00753397
STK079862
ZINC000001193842
ZINC000001196032
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