Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-(5-phenylfuran-2-yl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL539277
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc(o1)c1ccccc1
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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 C31H30O7 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30O7/c1-19-9-8-14-22(32)13-7-3-6-12-21-17-26-29(30(34)28(21)31(35)36-19)23(18-27(33)38-26)25-16-15-24(37-25)20-10-4-2-5-11-20/h2,4-6,10-12,15-17,19,23,34H,3,7-9,13-14,18H2,1H3/b12-6+InChIKey
VLXUIGXOVLBJAX-WUXMJOGZSA-NSynonyms
(12~(E))22hydroxy4methyl20(5phenylfuran2yl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(5phenylfuran2yl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy8methyl4(5phenylfuran2yl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753706
InChI=1SC31H30O7c119981422(32)137361221172629(30(34)28(21)31(35)3619)23(1827(33)3826)25161524(3725)20104251120h24610121517192334H379131418H21H3b126+
MFCD22574281
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc(o1)c1ccccc1
ZINC000254571413
ZINC001614471085
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