Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-(1-{[1-(5-hydroxy-4H-1,2,4-triazol-3-yl)-2-phenylethyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548842
SMILES Oc1nnc([nH]1)C(N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)Cc1ccccc1
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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 C28H26N4O7 MW 530.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O7/c1-12-22(35)20(14(3)33)24-21(23(12)36)28(4)18(39-24)11-17(34)19(25(28)37)13(2)29-16(26-30-27(38)32-31-26)10-15-8-6-5-7-9-15/h5-9,11,16,29,35-36H,10H2,1-4H3,(H2,30,31,32,38)/b19-13+/t16?,28-/m0/s1InChIKey
VPXDYJRUIZUHCD-FBRSLRLNSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1((1(5oxo14dihydro124triazol3yl)2phenylethyl)amino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((1(5hydroxy4H124triazol3yl)2phenylethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
135639798
InChI=1SC28H26N4O7c11222(35)20(14(3)33)2421(23(12)36)28(4)18(3924)1117(34)19(25(28)37)13(2)2916(263027(38)323126)10158657915h591116293536H10H214H3(H230313238)b1913+t16?28m0s1
ZINC000263586550
ZINC000263586551
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