Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-[4-(methylsulfanyl)phenyl]-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL538359
SMILES CSc1ccc(cc1)C1CC(=O)Oc2c1c(O)c1c(c2)/C=C/CCCC(=O)CCCC(OC1=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 C28H30O6S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O6S/c1-17-7-6-10-20(29)9-5-3-4-8-19-15-23-26(27(31)25(19)28(32)33-17)22(16-24(30)34-23)18-11-13-21(35-2)14-12-18/h4,8,11-15,17,22,31H,3,5-7,9-10,16H2,1-2H3/b8-4+InChIKey
QCSIKCTWVCXWFQ-XBXARRHUSA-NSynonyms
(12~(E))22hydroxy4methyl20(4methylsulfanylphenyl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(4(methylsulfanyl)phenyl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy8methyl4(4(methylthio)phenyl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754135
CSc1ccc(cc1)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC28H30O6Sc117761020(29)9534819152326(27(31)25(19)28(32)3317)22(1624(30)3423)18111321(352)141218h481115172231H35791016H212H3b84+
MFCD22574563
ZINC000254615587
ZINC001614470979
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