Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-(thiophen-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
STL538316
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1cscc1
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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 C25H26O6S MW 454.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26O6S/c1-15-6-5-9-18(26)8-4-2-3-7-16-12-20-23(24(28)22(16)25(29)30-15)19(13-21(27)31-20)17-10-11-32-14-17/h3,7,10-12,14-15,19,28H,2,4-6,8-9,13H2,1H3/b7-3+InChIKey
XRHQUVWGGSCSKX-XVNBXDOJSA-NSynonyms
(12~(E))22hydroxy4methyl20thiophen3yl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(thiophen3yl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy8methyl4(thiophen3yl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754108
InChI=1SC25H26O6Sc11565918(26)8423716122023(24(28)22(16)25(29)3015)19(1321(27)3120)171011321417h37101214151928H2468913H21H3b73+
MFCD22574548
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1cscc1
ZINC000254410694
ZINC001614471121
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