Vitas-M small molecule compound
(16E)-4-(2,3-dihydro-1,4-benzodioxin-6-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
STL538609
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc2c(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 C29H30O8 MW 506.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30O8/c1-17-6-5-9-20(30)8-4-2-3-7-19-15-24-27(28(32)26(19)29(33)36-17)21(16-25(31)37-24)18-10-11-22-23(14-18)35-13-12-34-22/h3,7,10-11,14-15,17,21,32H,2,4-6,8-9,12-13,16H2,1H3/b7-3+InChIKey
HWYVELPEQJCQHO-XVNBXDOJSA-NSynonyms
(12~(E))20(23dihydro14benzodioxin6yl)22hydroxy4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)4(23dihydro14benzodioxin6yl)5hydroxy8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)4(23dihydrobenzo(b)(14)dioxin6yl)5hydroxy8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754088
InChI=1SC29H30O8c11765920(30)8423719152427(28(32)26(19)29(33)3617)21(1625(31)3724)1810112223(1418)3513123422h3710111415172132H24689121316H21H3b73+
MFCD22574533
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc2c(c1)OCCO2
ZINC000254746665
ZINC001614470937
Check stock
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