Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-(1-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546262
SMILES O=C(N1CCc2c(C1)cccc2)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 C29H28N2O7 MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7/c1-14-25(35)23(16(3)32)27-24(26(14)36)29(4)20(38-27)11-19(33)22(28(29)37)15(2)30-12-21(34)31-10-9-17-7-5-6-8-18(17)13-31/h5-8,11,30,35-36H,9-10,12-13H2,1-4H3/b22-15+/t29-/m0/s1InChIKey
YMUPMGXXRIJHKA-NKVKBKOUSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1((2(34dihydro1~(H)isoquinolin2yl)2oxoethyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1((2(34dihydroisoquinolin2(1H)yl)2oxoethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl2(1((2(34dihydroisoquinolin2(1H)yl)2oxoethyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
110208069
InChI=1SC29H28N2O7c11425(35)23(16(3)32)2724(26(14)36)29(4)20(3827)1119(33)22(28(29)37)15(2)301221(34)3110917756818(17)1331h5811303536H9101213H214H3b2215+t29m0s1
O=C(N1CCc2c(C1)cccc2)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253414758
ZINC253414758
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.