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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-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-beta-alaninamide

Catalog ID
STL548824
SMILES O=C(NCc1cc(=O)n(c(=O)n1C)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 C28H30N4O9 MW 566.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O9/c1-12-23(37)21(14(3)33)25-22(24(12)38)28(4)17(41-25)10-16(34)20(26(28)39)13(2)29-8-7-18(35)30-11-15-9-19(36)32(6)27(40)31(15)5/h9-10,29,37-38H,7-8,11H2,1-6H3,(H,30,35)/b20-13+/t28-/m0/s1
InChIKey
FPBHYNBLYLQSCJ-JVELKTRGSA-N
Synonyms

(RE)3((1(6acetyl79dihydroxy89bdimethyl13dioxo19bdihydrodibenzo(bd)furan2(3H)ylidene)ethyl)amino)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)propanamide
110206322
3(((1~(E))1((9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl13dioxodibenzofuran2ylidene)ethyl)amino)~(N)((13dimethyl26dioxopyrimidin4yl)methyl)propanamide
InChI=1SC28H30N4O9c11223(37)21(14(3)33)2522(24(12)38)28(4)17(4125)1016(34)20(26(28)39)13(2)298718(35)301115919(36)32(6)27(40)31(15)5h910293738H7811H216H3(H3035)b2013+t28m0s1
N~3~((1E)1((9bR)6acetyl79dihydroxy89bdimethyl13dioxo39bdihydrodibenzo(bd)furan2(1H)ylidene)ethyl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)betaalaninamide
O=C(NCc1cc(=O)n(c(=O)n1C)C)CCNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
ZINC000253401408
ZINC253401408

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Available files

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