Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546560
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCc1onc(n1)COc1ccccc1
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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 C28H25N3O8 MW 531.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O8/c1-13-24(34)22(15(3)32)26-23(25(13)35)28(4)18(38-26)10-17(33)21(27(28)36)14(2)29-11-20-30-19(31-39-20)12-37-16-8-6-5-7-9-16/h5-10,29,34-35H,11-12H2,1-4H3/b21-14+/t28-/m0/s1InChIKey
QHSKTXIVDNQGKT-BSKIJULFSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((3(phenoxymethyl)124oxadiazol5yl)methylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1(((3(phenoxymethyl)124oxadiazol5yl)methyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1(((3(phenoxymethyl)124oxadiazol5yl)methyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
110206289
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCc1onc(n1)COc1ccccc1
InChI=1SC28H25N3O8c11324(34)22(15(3)32)2623(25(13)35)28(4)18(3826)1017(33)21(27(28)36)14(2)2911203019(313920)1237168657916h510293435H1112H214H3b2114+t28m0s1
ZINC000253412243
ZINC253412243
Check stock
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Check stock on Vitas-MAvailable files
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