Vitas-M small molecule compound
N-{[3-({(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-4-methoxyphenyl]carbonyl}glycine
Catalog ID
STL550139
SMILES COc1ccc(cc1N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)C(=O)NCC(=O)O
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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 C28H26N2O10 MW 550.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O10/c1-11-23(35)21(13(3)31)25-22(24(11)36)28(4)18(40-25)9-16(32)20(26(28)37)12(2)30-15-8-14(6-7-17(15)39-5)27(38)29-10-19(33)34/h6-9,30,35-36H,10H2,1-5H3,(H,29,38)(H,33,34)/b20-12+/t28-/m0/s1InChIKey
VHIFELBUIHEFCN-XGOYUMGASA-NSynonyms
(RE)2(3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)4methoxybenzamido)aceticacid
132351938
2((3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)4methoxybenzoyl)amino)aceticacid
COc1ccc(cc1NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C(=O)NCC(=O)O
InChI=1SC28H26N2O10c11123(35)21(13(3)31)2522(24(11)36)28(4)18(4025)916(32)20(26(28)37)12(2)3015814(6717(15)395)27(38)291019(33)34h69303536H10H215H3(H2938)(H3334)b2012+t28m0s1
N((3(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)4methoxyphenyl)carbonyl)glycine
ZINC000824726372
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.