Vitas-M small molecule compound

N-[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]-2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide

Catalog ID
STL526692
SMILES C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CCOC(C3)(C)C)c3ccccc3)/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 C38H52N2O4 MW 600.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H52N2O4/c1-6-38(42)19-16-32-30-13-12-28-24-29(14-17-35(28,4)31(30)15-18-36(32,38)5)40-44-25-33(41)39-22-20-37(27-10-8-7-9-11-27)21-23-43-34(2,3)26-37/h1,7-11,24,30-32,42H,12-23,25-26H2,2-5H3,(H,39,41)/b40-29+/t30?,31?,32?,35-,36-,37?,38-/m0/s1
InChIKey
LGDIDFRWJWLEEK-VJXSCYFLSA-N
Synonyms

~(N)(2(22dimethyl4phenyloxan4yl)ethyl)2((~(E))((10~(R)13~(S)17~(R))17ethynyl17hydroxy1013dimethyl267891112141516decahydro1~(H)cyclopenta(a)phenanthren3ylidene)amino)oxyacetamide
16397475
C#C(C@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=NOCC(=O)NCCC3(CCOC(C3)(C)C)c3ccccc3)CC(C@)12C
InChI=1SC38H52N2O4c1638(42)191632301312282429(141735(284)31(30)151836(3238)5)40442533(41)39222037(27108791127)21234334(23)2637h171124303242H12232526H225H3(H3941)b4029+t30?31?32?353637?38m0s1
MFCD03006121
N(2(22dimethyl4phenyltetrahydro2Hpyran4yl)ethyl)2((((10R13S17R)17ethynyl17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamide
N(2(22dimethyl4phenyltetrahydro2Hpyran4yl)ethyl)2((((3E8xi9xi14xi17alpha)17hydroxypregn4en20yn3ylidene)amino)oxy)acetamide
ZINC000070671996
ZINC000253505594

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Available files

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