Vitas-M small molecule compound
(8S,16E)-5-methoxy-8-methyl-4-(3,4,5-trimethoxyphenyl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL538235
SMILES COc1c2C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/c2cc2c1C(CC(=O)O2)c1cc(OC)c(c(c1)OC)OC
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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 C31H36O9 MW 552.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36O9/c1-18-10-9-13-21(32)12-8-6-7-11-19-14-23-28(30(38-5)27(19)31(34)39-18)22(17-26(33)40-23)20-15-24(35-2)29(37-4)25(16-20)36-3/h7,11,14-16,18,22H,6,8-10,12-13,17H2,1-5H3/b11-7+/t18-,22?/m0/s1InChIKey
QHYMPLXPJUYIPS-GPTYSRPSSA-NSynonyms
(4~(S)12~(E))22methoxy4methyl20(345trimethoxyphenyl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(8S16E)5methoxy8methyl4(345trimethoxyphenyl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5methoxy8methyl4(345trimethoxyphenyl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753856
COc1c2C(=O)O(C@@H)(C)CCCC(=O)CCCC=Cc2cc2c1C(CC(=O)O2)c1cc(OC)c(c(c1)OC)OC
InChI=1SC31H36O9c1181091321(32)128671119142328(30(385)27(19)31(34)3918)22(1726(33)4023)201524(352)29(374)25(1620)363h71114161822H6810121317H215H3b117+t1822?m0s1
ZINC000254612347
ZINC000254612348
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