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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-{2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-beta-alaninamide

Catalog ID
STL548684
SMILES O=C(NCCc1onc(n1)C(C)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 C28H32N4O8 MW 552.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O8/c1-12(2)27-31-19(40-32-27)8-10-30-18(35)7-9-29-14(4)20-16(34)11-17-28(6,26(20)38)22-24(37)13(3)23(36)21(15(5)33)25(22)39-17/h11-12,29,36-37H,7-10H2,1-6H3,(H,30,35)/b20-14+/t28-/m0/s1
InChIKey
KUDUOTDARSYWIE-FKCOHSBYSA-N
Synonyms

(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N(2(3isopropyl124oxadiazol5yl)ethyl)propanamide
110207998
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)(2(3propan2yl124oxadiazol5yl)ethyl)propanamide
InChI=1SC28H32N4O8c112(2)273119(403227)8103018(35)792914(4)2016(34)111728(626(20)38)2224(37)13(3)23(36)21(15(5)33)25(22)3917h1112293637H710H216H3(H3035)b2014+t28m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N(2(3(propan2yl)124oxadiazol5yl)ethyl)betaalaninamide
N3((1E)1((9BR)6ACETYL79DIHYDROXY89BDIMETHYL13DIOXO39BDIHYDRODIBENZO(BD)FURAN2(1H)YLIDENE)ETHYL)N(2(3(PROPAN2YL)124OXADIAZOL5YL)ETHYL)BETAALANINAMIDE
O=C(NCCc1onc(n1)C(C)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253408506
ZINC253408506

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Available files

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