Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL539784
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1cc2ccccc2n(c1=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 C31H31NO7 MW 529.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO7/c1-18-9-8-13-21(33)12-5-3-4-11-20-16-25-28(29(35)27(20)31(37)38-18)22(17-26(34)39-25)23-15-19-10-6-7-14-24(19)32(2)30(23)36/h4,6-7,10-11,14-16,18,22,35H,3,5,8-9,12-13,17H2,1-2H3/b11-4+InChIKey
FTVNIFJUUJWBRF-NYYWCZLTSA-NSynonyms
(12~(E))22hydroxy4methyl20(1methyl2oxoquinolin3yl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(1methyl2oxo12dihydroquinolin3yl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy8methyl4(1methyl2oxo12dihydroquinolin3yl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753718
InChI=1SC31H31NO7c118981321(33)125341120162528(29(35)27(20)31(37)3818)22(1726(34)3925)23151910671424(19)32(2)30(23)36h46710111416182235H3589121317H212H3b114+
MFCD22574290
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1cc2ccccc2n(c1=O)C
ZINC000254792729
ZINC001614470923
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