Vitas-M small molecule compound
(3S,11E)-14-[(2,5-dimethylbenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Catalog ID
STL536439
SMILES O=C1CCC/C=C/c2cc(OCc3cc(C)ccc3C)cc(c2C(=O)O[C@H](CCC1)C)O
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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 C27H32O5 MW 436.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32O5/c1-18-12-13-19(2)22(14-18)17-31-24-15-21-9-5-4-6-10-23(28)11-7-8-20(3)32-27(30)26(21)25(29)16-24/h5,9,12-16,20,29H,4,6-8,10-11,17H2,1-3H3/b9-5+/t20-/m0/s1InChIKey
BQNOZWXAYRTLFO-MRSBXDGLSA-NSynonyms
(3S11E)14((25dimethylbenzyl)oxy)16hydroxy3methyl3456910hexahydro1H2benzoxacyclotetradecine17(8H)dione
(4~(S)12~(E))16((25dimethylphenyl)methoxy)18hydroxy4methyl3oxabicyclo(1240)octadeca1(14)121517tetraene28dione
(SE)14((25dimethylbenzyl)oxy)16hydroxy3methyl3456910hexahydro1Hbenzo(c)(1)oxacyclotetradecine17(8H)dione
16400146
InChI=1SC27H32O5c118121319(2)22(1418)173124152195461023(28)117820(3)3227(30)26(21)25(29)1624h5912162029H468101117H213H3b95+t20m0s1
MFCD05670919
O=C1CCCC=Cc2cc(OCc3cc(C)ccc3C)cc(c2C(=O)O(C@H)(CCC1)C)O
ZINC000254823896
ZINC12863524
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