Vitas-M small molecule compound
(16E)-5-hydroxy-4-(2-hydroxyquinolin-3-yl)-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
STL538966
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1cc2ccccc2nc1O
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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 C30H29NO7 MW 515.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO7/c1-17-8-7-12-20(32)11-4-2-3-10-19-15-24-27(28(34)26(19)30(36)37-17)21(16-25(33)38-24)22-14-18-9-5-6-13-23(18)31-29(22)35/h3,5-6,9-10,13-15,17,21,34H,2,4,7-8,11-12,16H2,1H3,(H,31,35)/b10-3+InChIKey
IOTMUZMRGHPKRE-XCVCLJGOSA-NSynonyms
(12~(E))22hydroxy4methyl20(2oxo1~(H)quinolin3yl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy4(2hydroxyquinolin3yl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
71754209
InChI=1SC30H29NO7c117871220(32)114231019152427(28(34)26(19)30(36)3717)21(1625(33)3824)2214189561323(18)3129(22)35h3569101315172134H2478111216H21H3(H3135)b103+
MFCD31754728
ZINC000254555758
ZINC000254555761
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