Vitas-M small molecule compound
methyl 4-({[(3R,11E)-16-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl]oxy}methyl)benzoate
Catalog ID
STL536881
SMILES COC(=O)c1ccc(cc1)COc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](OC2=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 C27H30O7 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30O7/c1-18-7-6-10-22(28)9-5-3-4-8-21-15-23(16-24(29)25(21)27(31)34-18)33-17-19-11-13-20(14-12-19)26(30)32-2/h4,8,11-16,18,29H,3,5-7,9-10,17H2,1-2H3/b8-4+/t18-/m1/s1InChIKey
AVRSAONDHMUSDF-SBLNNXNXSA-NSynonyms
(SE)methyl4(((16hydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin14yl)oxy)methyl)benzoate
124358151
COC(=O)c1ccc(cc1)COc1cc(O)c2c(c1)C=CCCCC(=O)CCC(C@@H)(OC2=O)C
InChI=1SC27H30O7c118761022(28)95348211523(1624(29)25(21)27(31)3418)331719111320(141219)26(30)322h4811161829H35791017H212H3b84+t18m1s1
methyl4((((3R11E)16hydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin14yl)oxy)methyl)benzoate
methyl4(((4~(R)12~(E))18hydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(14)121517tetraen16yl)oxymethyl)benzoate
MFCD05677190
ZINC001614467734
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