Vitas-M small molecule compound
7-{[(1S,6Z,8aS)-6-(hydroxyimino)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methoxy}-2H-chromen-2-one
Catalog ID
STL549259
SMILES O/N=C\1/CC[C@]2(C(C1(C)C)CC=C([C@@H]2COc1ccc2c(c1)oc(=O)cc2)C)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 C24H29NO4 MW 395.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO4/c1-15-5-9-20-23(2,3)21(25-27)11-12-24(20,4)18(15)14-28-17-8-6-16-7-10-22(26)29-19(16)13-17/h5-8,10,13,18,20,27H,9,11-12,14H2,1-4H3/b25-21-/t18-,20?,24+/m0/s1InChIKey
QYLWHDVJPCDLGF-BVHCTNCESA-NSynonyms
16395653
7(((1~(S)6~(Z)8~(a)~(S))6hydroxyimino2558~(a)tetramethyl44~(a)78tetrahydro1~(H)naphthalen1yl)methoxy)chromen2one
7(((1S6Z8aS)6(hydroxyimino)2558atetramethyl144a56788aoctahydronaphthalen1yl)methoxy)2Hchromen2one
7(((1S8aSZ)6(hydroxyimino)2558atetramethyl144a56788aoctahydronaphthalen1yl)methoxy)2Hchromen2one
InChI=1SC24H29NO4c115592023(23)21(2527)111224(204)18(15)142817861671022(26)2919(16)1317h581013182027H9111214H214H3b2521t1820?24+m0s1
MFCD01545854
ON=C1CC(C@)2(C(C1(C)C)CC=C((C@@H)2COc1ccc2c(c1)oc(=O)cc2)C)C
ZINC000004025760
ZINC000004025761
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