Vitas-M small molecule compound
N-(4-fluorobenzyl)-2-({[(3E,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide
Catalog ID
STL537047
SMILES C#C[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=C/C(=N/OCC(=O)NCc3ccc(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 C30H37FN2O3 MW 492.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37FN2O3/c1-4-30(35)16-13-26-24-10-7-21-17-23(11-14-28(21,2)25(24)12-15-29(26,30)3)33-36-19-27(34)32-18-20-5-8-22(31)9-6-20/h1,5-6,8-9,17,24-26,35H,7,10-16,18-19H2,2-3H3,(H,32,34)/b33-23+/t24-,25?,26?,28+,29+,30-/m1/s1InChIKey
FVYCOTAPXWJMBP-OAVPMWOISA-NSynonyms
16402387
2((((8R10R13S17S)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)N(4fluorobenzyl)acetamide
2((~(E))((8~(R)10~(R)13~(S)17~(S))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxy~(N)((4fluorophenyl)methyl)acetamide
C#C(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=NOCC(=O)NCc3ccc(cc3)F)CC(C@)12C
InChI=1SC30H37FN2O3c1430(35)16132624107211723(111428(212)25(24)121529(2630)3)33361927(34)3218205822(31)9620h1568917242635H710161819H223H3(H3234)b3323+t2425?26?28+29+30m1s1
MFCD06493558
N(4fluorobenzyl)2((((3E9xi14xi)17hydroxypregn4en20yn3ylidene)amino)oxy)acetamide
ZINC000012876689
ZINC000012876709
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