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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}-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-beta-alaninamide

Catalog ID
STL547881
SMILES O=C(NCc1onc(n1)C)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 C25H26N4O8 MW 510.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O8/c1-10-21(33)19(12(3)30)23-20(22(10)34)25(5)15(36-23)8-14(31)18(24(25)35)11(2)26-7-6-16(32)27-9-17-28-13(4)29-37-17/h8,26,33-34H,6-7,9H2,1-5H3,(H,27,32)/b18-11+/t25-/m0/s1
InChIKey
PSXWHZUTDZIFIA-AIHHMALZSA-N
Synonyms
(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N((3methyl124oxadiazol5yl)methyl)propanamide
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)((3methyl124oxadiazol5yl)methyl)propanamide
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N((3methyl124oxadiazol5yl)methyl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N((3METHYL124OXADIAZOL5YL)METHYL)BETAALANINAMIDE
O=C(NCc1onc(n1)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
Registry IDs
ZINC000253412060
ZINC253412060

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Available files

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