Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-{[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]amino}ethylidene)dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL545965
SMILES Cn1cnc(n1)CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)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 C22H22N4O6 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6/c1-9-18(29)16(11(3)27)20-17(19(9)30)22(4)13(32-20)6-12(28)15(21(22)31)10(2)23-7-14-24-8-26(5)25-14/h6,8,23,29-30H,7H2,1-5H3/b15-10+/t22-/m0/s1InChIKey
AZFPNDZDKGERPK-NCSHYYEOSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((1methyl124triazol3yl)methylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1(((1methyl1H124triazol3yl)methyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1(((1methyl1H124triazol3yl)methyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
110206775
Cn1cnc(n1)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC22H22N4O6c1918(29)16(11(3)27)2017(19(9)30)22(4)13(3220)612(28)15(21(22)31)10(2)2371424826(5)2514h68232930H7H215H3b1510+t22m0s1
ZINC000253396311
ZINC253396311
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