Vitas-M small molecule compound

(17E)-17-[(2E)-{3-[(4-fluorophenoxy)methyl]-4-methoxybenzylidene}hydrazinylidene]estra-1,3,5(10)-trien-3-ol

Catalog ID
STL173689
SMILES COc1ccc(cc1COc1ccc(cc1)F)/C=N/N=C/1\CCC2C1(C)CCC1C2CCc2c1ccc(c2)O

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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 C33H35FN2O3 MW 526.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35FN2O3/c1-33-16-15-28-27-11-7-25(37)18-22(27)4-10-29(28)30(33)12-14-32(33)36-35-19-21-3-13-31(38-2)23(17-21)20-39-26-8-5-24(34)6-9-26/h3,5-9,11,13,17-19,28-30,37H,4,10,12,14-16,20H2,1-2H3/b35-19+,36-32+
InChIKey
ACZOJDSSONXVNU-VJFWTRAGSA-N
Synonyms
1192739-18-6
(17E)17((2E)(3((4fluorophenoxy)methyl)4methoxybenzylidene)hydrazinylidene)estra135(10)trien3ol
(17E)17((E)(3((4fluorophenoxy)methyl)4methoxyphenyl)methylidenehydrazinylidene)13methyl7891112141516octahydro6Hcyclopenta(a)phenanthren3ol
1192739186
3((4FLUOROPHENOXY)METHYL)4METHOXYBENZALDEHYDE(3HYDROXYESTRA135(10)TRIEN17YLIDENE)HYDRAZONE
CC12CCC3C(C1CCC2=NN=CC4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)F)CCC6=C3C=CC(=C6)O
COc1ccc(cc1COc1ccc(cc1)F)C=NN=C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O
InChI=1SC33H35FN2O3c1331615282711725(37)1822(27)41029(28)30(33)121432(33)3635192131331(382)23(1721)2039268524(34)6926h35911131719283037H41012141620H212H3b3519+3632+
MFCD02243294
ZINC000013882296
ZINC000245238720

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Available files

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