Vitas-M small molecule compound
(8S,16E)-4-(2H-chromen-3-yl)-5-methoxy-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
STL539587
SMILES COc1c2C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/c2cc2c1C(CC(=O)O2)C1=Cc2c(OC1)cccc2
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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 C31H32O7 MW 516.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32O7/c1-19-9-8-13-23(32)12-5-3-4-11-21-16-26-29(30(35-2)28(21)31(34)37-19)24(17-27(33)38-26)22-15-20-10-6-7-14-25(20)36-18-22/h4,6-7,10-11,14-16,19,24H,3,5,8-9,12-13,17-18H2,1-2H3/b11-4+/t19-,24?/m0/s1InChIKey
GNRZWNIZEIFYIG-NLUFFIRXSA-NSynonyms
(4~(S)12~(E))20(2~(H)chromen3yl)22methoxy4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(8S16E)4(2Hchromen3yl)5methoxy8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)4(2Hchromen3yl)5methoxy8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753829
COc1c2C(=O)O(C@@H)(C)CCCC(=O)CCCC=Cc2cc2c1C(CC(=O)O2)C1=Cc2c(OC1)cccc2
InChI=1SC31H32O7c119981323(32)125341121162629(30(352)28(21)31(34)3719)24(1727(33)3826)22152010671425(20)361822h467101114161924H358912131718H212H3b114+t1924?m0s1
ZINC000254848247
ZINC000254848250
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