Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-(1-{[2-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547283
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCn1c(=O)c(O)nc2c1cccc2
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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/c1-12-22(34)20(14(3)32)24-21(23(12)35)28(4)18(39-24)11-17(33)19(25(28)36)13(2)29-9-10-31-16-8-6-5-7-15(16)30-26(37)27(31)38/h5-8,11,29,34-35H,9-10H2,1-4H3,(H,30,37)/b19-13+/t28-/m0/s1InChIKey
KJTHZOSRLPXFJK-LJVDRSMKSA-NSynonyms
(2E9bR)6acetyl79dihydroxy2(1((2(3hydroxy2oxoquinoxalin1(2H)yl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((2(3hydroxy2oxoquinoxalin1(2H)yl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207745
4(2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)ethyl)1~(H)quinoxaline23dione
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCn1c(=O)c(O)nc2c1cccc2
InChI=1SC28H25N3O8c11222(34)20(14(3)32)2421(23(12)35)28(4)18(3924)1117(33)19(25(28)36)13(2)299103116865715(16)3026(37)27(31)38h5811293435H910H214H3(H3037)b1913+t28m0s1
ZINC000253408069
ZINC253408069
Check stock
See real-time availability and sample size for STL547283 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.