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N-[2-(4-fluorophenyl)ethyl]-2-({[(3E,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide

Catalog ID
STL536865
SMILES C#C[C@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=C/C(=N/OCC(=O)NCCc3ccc(cc3)F)/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 C31H39FN2O3 MW 506.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39FN2O3/c1-4-31(36)17-13-27-25-10-7-22-19-24(11-15-29(22,2)26(25)12-16-30(27,31)3)34-37-20-28(35)33-18-14-21-5-8-23(32)9-6-21/h1,5-6,8-9,19,25-27,36H,7,10-18,20H2,2-3H3,(H,33,35)/b34-24+/t25-,26?,27?,29+,30+,31+/m1/s1
InChIKey
SXYJPNIYEIALIO-DCXMGGMPSA-N
Synonyms

135639474
2((((8R9S10R13S14S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(4fluorophenethyl)acetamide
2((~(E))((8~(R)10~(R)13~(S)17~(R))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)(2(4fluorophenyl)ethyl)acetamide
C#C(C@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=NOCC(=O)NCCc3ccc(cc3)F)CC(C@)12C
InChI=1SC31H39FN2O3c1431(36)17132725107221924(111529(222)26(25)121630(2731)3)34372028(35)331814215823(32)9621h1568919252736H7101820H223H3(H3335)b3424+t2526?27?29+30+31+m1s1
N(2(4fluorophenyl)ethyl)2((((3E9xi14xi17alpha)17hydroxypregn4en20yn3ylidene)amino)oxy)acetamide
ZINC000008789586
ZINC001772492585

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Available files

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