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}glycyl)amino]benzoate
Catalog ID
STL547033
SMILES COC(=O)c1ccc(cc1)NC(=O)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 C28H26N2O9 MW 534.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O9/c1-12-23(34)21(14(3)31)25-22(24(12)35)28(4)18(39-25)10-17(32)20(26(28)36)13(2)29-11-19(33)30-16-8-6-15(7-9-16)27(37)38-5/h6-10,29,34-35H,11H2,1-5H3,(H,30,33)/b20-13+/t28-/m0/s1InChIKey
SFYUXZPREZIIKT-JVELKTRGSA-NSynonyms
(RE)METHYL4(2((1(6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO19BDIHYDRODIBENZO(BD)FURAN2(3H)YLIDENE)ETHYL)AMINO)ACETAMIDO)BENZOATE
110206723
COC(=O)c1ccc(cc1)NC(=O)CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC28H26N2O9c11223(34)21(14(3)31)2522(24(12)35)28(4)18(3925)1017(32)20(26(28)36)13(2)291119(33)30168615(7916)27(37)385h610293435H11H215H3(H3033)b2013+t28m0s1
methyl4((2(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)acetyl)amino)benzoate
methyl4((N((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)glycyl)amino)benzoate
ZINC000253412849
ZINC253412849
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.