Vitas-M small molecule compound
(8S,16E)-5-methoxy-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL539793
SMILES COc1c2C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/c2cc2c1C(CC(=O)O2)c1cc(OC)c2c(c1)OCCO2
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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 C31H34O9 MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34O9/c1-18-8-7-11-21(32)10-6-4-5-9-19-14-23-28(30(36-3)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29-25(16-20)37-12-13-38-29/h5,9,14-16,18,22H,4,6-8,10-13,17H2,1-3H3/b9-5+/t18-,22?/m0/s1InChIKey
WTALHYKGNDMTIW-CMVJWDLVSA-NSynonyms
(4~(S)12~(E))22methoxy20(5methoxy23dihydro14benzodioxin7yl)4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(8S16E)5methoxy4(8methoxy23dihydro14benzodioxin6yl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5methoxy4(8methoxy23dihydrobenzo(b)(14)dioxin6yl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754057
COc1c2C(=O)O(C@@H)(C)CCCC(=O)CCCC=Cc2cc2c1C(CC(=O)O2)c1cc(OC)c2c(c1)OCCO2
InChI=1SC31H34O9c118871121(32)10645919142328(30(363)27(19)31(34)3918)22(1726(33)4023)201524(352)2925(1620)3712133829h5914161822H468101317H213H3b95+t1822?m0s1
ZINC000254372682
ZINC000254372683
Check stock
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Check stock on Vitas-MAvailable files
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