Vitas-M small molecule compound
(16E)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-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
STL538656
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc2c(c1)OCO2
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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 C28H28O8 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28O8/c1-16-6-5-9-19(29)8-4-2-3-7-18-13-23-26(27(31)25(18)28(32)35-16)20(14-24(30)36-23)17-10-11-21-22(12-17)34-15-33-21/h3,7,10-13,16,20,31H,2,4-6,8-9,14-15H2,1H3/b7-3+InChIKey
CINYCWKQJMPHMI-XVNBXDOJSA-NSynonyms
(12~(E))20(13benzodioxol5yl)22hydroxy4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)4(13benzodioxol5yl)5hydroxy8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)4(benzo(d)(13)dioxol5yl)5hydroxy8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753677
InChI=1SC28H28O8c11665919(29)8423718132326(27(31)25(18)28(32)3516)20(1424(30)3623)1710112122(1217)34153321h371013162031H246891415H21H3b73+
MFCD22574258
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc2c(c1)OCO2
ZINC000254741030
ZINC001614470907
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