Vitas-M small molecule compound
methyl 4-[(N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}-beta-alanyl)amino]benzoate
Catalog ID
STL547089
SMILES COC(=O)c1ccc(cc1)NC(=O)CCN/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 C29H28N2O9 MW 548.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O9/c1-13-24(35)22(15(3)32)26-23(25(13)36)29(4)19(40-26)12-18(33)21(27(29)37)14(2)30-11-10-20(34)31-17-8-6-16(7-9-17)28(38)39-5/h6-9,12,30,35-36H,10-11H2,1-5H3,(H,31,34)/b21-14+/t29-/m0/s1InChIKey
QUNVOMGAMATBQI-YUFDSAJQSA-NSynonyms
(RE)methyl4(3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)propanamido)benzoate
110207150
COC(=O)c1ccc(cc1)NC(=O)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC29H28N2O9c11324(35)22(15(3)32)2623(25(13)36)29(4)19(4026)1218(33)21(27(29)37)14(2)30111020(34)31178616(7917)28(38)395h6912303536H1011H215H3(H3134)b2114+t29m0s1
methyl4((N((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)betaalanyl)amino)benzoate
methyl4(3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)propanoylamino)benzoate
ZINC000253412374
ZINC253412374
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.