Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-{1-[(2-hydroxyethyl)amino]ethylidene}-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547163
SMILES OCCN/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 C20H21NO7 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO7/c1-8-16(25)14(10(3)23)18-15(17(8)26)20(4)12(28-18)7-11(24)13(19(20)27)9(2)21-5-6-22/h7,21-22,25-26H,5-6H2,1-4H3/b13-9+/t20-/m0/s1InChIKey
AGJQODJQWNRTCT-SQSZOCELSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1(2hydroxyethylamino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((2hydroxyethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((2hydroxyethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207162
InChI=1SC20H21NO7c1816(25)14(10(3)23)1815(17(8)26)20(4)12(2818)711(24)13(19(20)27)9(2)215622h721222526H56H214H3b139+t20m0s1
OCCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253394818
ZINC253394818
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