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N-[2-(1H-imidazol-4-yl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide

Catalog ID
STL546870
SMILES OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCCc3c[nH]cn3)/CC[C@]12C

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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 C28H40N4O6 MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N4O6/c1-26-8-5-18(32-38-15-24(36)30-10-7-19-13-29-16-31-19)11-17(26)3-4-20-21-6-9-28(37,23(35)14-33)27(21,2)12-22(34)25(20)26/h11,13,16,20-22,25,33-34,37H,3-10,12,14-15H2,1-2H3,(H,29,31)(H,30,36)/b32-18-/t20?,21?,22?,25?,26-,27-,28-/m0/s1
InChIKey
NITTYFNDGWFEGJ-JLONNANBSA-N
Synonyms

135639752
2((~(Z))((10~(R)13~(S)17~(R))1117dihydroxy17(2hydroxyacetyl)1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(1~(H)imidazol5yl)ethyl)acetamide
InChI=1SC28H40N4O6c1268518(32381524(36)30107191329163119)1117(26)3420216928(3723(35)1433)27(212)1222(34)25(20)26h111316202225333437H310121415H212H3(H2931)(H3036)b3218t20?21?22?25?262728m0s1
MFCD02925143
N(2(1Himidazol4yl)ethyl)2((((3Z8xi9xi14xi)111721trihydroxy20oxopregn4en3ylidene)amino)oxy)acetamide
N(2(1Himidazol4yl)ethyl)2(((E)((8S9S10R11R13S14S17R)1117dihydroxy17(2hydroxyacetyl)1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamide
OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@@H)(O)(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCCc3c(nH)cn3)CC(C@)12C
ZINC001772492776
ZINC001772492779

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Available files

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