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}-beta-alanine
Catalog ID
STL550338
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)NCCC(=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 C29H28N2O10 MW 564.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O10/c1-12-24(36)22(14(3)32)26-23(25(12)37)29(4)19(41-26)11-17(33)21(27(29)38)13(2)31-16-10-15(6-7-18(16)40-5)28(39)30-9-8-20(34)35/h6-7,10-11,31,36-37H,8-9H2,1-5H3,(H,30,39)(H,34,35)/b21-13+/t29-/m0/s1InChIKey
BEGYRXYJPSNDNT-BCMZQPROSA-NSynonyms
(RE)3(3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)4methoxybenzamido)propanoicacid
132351958
3((3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)4methoxybenzoyl)amino)propanoicacid
COc1ccc(cc1NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C(=O)NCCC(=O)O
InChI=1SC29H28N2O10c11224(36)22(14(3)32)2623(25(12)37)29(4)19(4126)1117(33)21(27(29)38)13(2)31161015(6718(16)405)28(39)309820(34)35h671011313637H89H215H3(H3039)(H3435)b2113+t29m0s1
N((3(((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)amino)4methoxyphenyl)carbonyl)betaalanine
ZINC000824726341
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.