Vitas-M small molecule compound
(16E)-4-[5-(4-acetylphenyl)furan-2-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
STL538969
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc(o1)c1ccc(cc1)C(=O)C
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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 C33H32O8 MW 556.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32O8/c1-19-7-6-10-24(35)9-5-3-4-8-23-17-28-31(32(37)30(23)33(38)39-19)25(18-29(36)41-28)27-16-15-26(40-27)22-13-11-21(12-14-22)20(2)34/h4,8,11-17,19,25,37H,3,5-7,9-10,18H2,1-2H3/b8-4+InChIKey
HVKYPHHHEFMRSF-XBXARRHUSA-NSynonyms
(12~(E))20(5(4acetylphenyl)furan2yl)22hydroxy4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)4(5(4acetylphenyl)furan2yl)5hydroxy8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)4(5(4acetylphenyl)furan2yl)5hydroxy8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754902
InChI=1SC33H32O8c119761024(35)9534823172831(32(37)30(23)33(38)3919)25(1829(36)4128)27161526(4027)22131121(121422)20(2)34h481117192537H35791018H212H3b84+
MFCD23136496
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc(o1)c1ccc(cc1)C(=O)C
ZINC000254677342
ZINC000254677349
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