Vitas-M small molecule compound
(8S,16E)-5-methoxy-8-methyl-4-phenyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL538314
SMILES COc1c2C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/c2cc2c1C(CC(=O)O2)c1ccccc1
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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 C28H30O6 MW 462.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O6/c1-18-10-9-15-21(29)14-8-4-7-13-20-16-23-26(27(32-2)25(20)28(31)33-18)22(17-24(30)34-23)19-11-5-3-6-12-19/h3,5-7,11-13,16,18,22H,4,8-10,14-15,17H2,1-2H3/b13-7+/t18-,22?/m0/s1InChIKey
KAIDUUNCYDXEDE-AGJAPPDMSA-NSynonyms
(4~(S)12~(E))22methoxy4methyl20phenyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(8S16E)5methoxy8methyl4phenyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5methoxy8methyl4phenyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754053
COc1c2C(=O)O(C@@H)(C)CCCC(=O)CCCC=Cc2cc2c1C(CC(=O)O2)c1ccccc1
InChI=1SC28H30O6c1181091521(29)148471320162326(27(322)25(20)28(31)3318)22(1724(30)3423)19115361219h3571113161822H4810141517H212H3b137+t1822?m0s1
ZINC000254705528
ZINC000254705529
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