Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-{1-[(3-phenylpropyl)amino]ethylidene}dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL549113
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCCc1ccccc1
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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 C27H27NO6 MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6/c1-14-23(31)21(16(3)29)25-22(24(14)32)27(4)19(34-25)13-18(30)20(26(27)33)15(2)28-12-8-11-17-9-6-5-7-10-17/h5-7,9-10,13,28,31-32H,8,11-12H2,1-4H3/b20-15+/t27-/m0/s1InChIKey
WSYBBOKEKJDOHN-BMNAETFISA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1(3phenylpropylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((3phenylpropyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1((3phenylpropyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
110206035
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCCc1ccccc1
InChI=1SC27H27NO6c11423(31)21(16(3)29)2522(24(14)32)27(4)19(3425)1318(30)20(26(27)33)15(2)28128111796571017h5791013283132H81112H214H3b2015+t27m0s1
ZINC000253414196
ZINC253414196
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