Vitas-M small molecule compound

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

Catalog ID
STL524433
SMILES C[C@@]12CC/C(=N/OCC(=O)NCCc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(O)C(=O)C)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 C28H40N4O4 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H40N4O4/c1-18(33)28(35)12-8-24-22-5-4-19-14-20(6-10-26(19,2)23(22)7-11-27(24,28)3)32-36-16-25(34)30-13-9-21-15-29-17-31-21/h14-15,17,22-24,35H,4-13,16H2,1-3H3,(H,29,31)(H,30,34)/b32-20-/t22?,23?,24?,26-,27-,28-/m0/s1
InChIKey
OTISSVUPJCZLPE-HZIAHAQGSA-N
Synonyms

16396871
2((((3Z8xi9xi14xi)17hydroxy20oxopregn4en3ylidene)amino)oxy)N(2(1Himidazol4yl)ethyl)acetamide
2((~(Z))((10~(R)13~(S)17~(R))17acetyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(1~(H)imidazol5yl)ethyl)acetamide
C(C@@)12CCC(=NOCC(=O)NCCc3c(nH)cn3)C=C2CCC2C1CC(C@)1(C2CC(C@)1(O)C(=O)C)C
InChI=1SC28H40N4O4c118(33)28(35)128242254191420(61026(192)23(22)71127(2428)3)32361625(34)30139211529173121h141517222435H41316H213H3(H2931)(H3034)b3220t22?23?24?262728m0s1
MFCD02114917
N(2(1Himidazol4yl)ethyl)2((((10R13S17R)17acetyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamide
ZINC000008740295
ZINC000257372861

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.