Vitas-M small molecule compound
(3S,11E)-14-[(4-ethenylbenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL537449
SMILES C=Cc1ccc(cc1)COc1cc2/C=C/CCCC(=O)CCC[C@@H](OC(=O)c2c(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 C27H30O5 MW 434.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30O5/c1-3-20-12-14-21(15-13-20)18-31-24-16-22-9-5-4-6-10-23(28)11-7-8-19(2)32-27(30)26(22)25(29)17-24/h3,5,9,12-17,19,29H,1,4,6-8,10-11,18H2,2H3/b9-5+/t19-/m0/s1InChIKey
KDUWYIVQEQBTBF-SQUITACLSA-NSynonyms
(3S11E)14((4ethenylbenzyl)oxy)16hydroxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))16((4ethenylphenyl)methoxy)18hydroxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)16hydroxy3methyl14((4vinylbenzyl)oxy)3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400706
C=Cc1ccc(cc1)COc1cc2C=CCCCC(=O)CCC(C@@H)(OC(=O)c2c(c1)O)C
InChI=1SC27H30O5c1320121421(151320)183124162295461023(28)117819(2)3227(30)26(22)25(29)1724h35912171929H1468101118H22H3b95+t19m0s1
MFCD05671862
ZINC000254827187
ZINC8918350
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