Vitas-M small molecule compound

(17E)-17-{(2E)-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]hydrazinylidene}estra-1,3,5(10)-trien-3-ol

Catalog ID
STL398010
SMILES Oc1ccc2c(c1)CCC1C2CCC2(C1CC/C/2=N\N=C\c1c(C)nn(c1C)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 C25H32N4O MW 404.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O/c1-15-22(16(2)29(4)28-15)14-26-27-24-10-9-23-21-7-5-17-13-18(30)6-8-19(17)20(21)11-12-25(23,24)3/h6,8,13-14,20-21,23,30H,5,7,9-12H2,1-4H3/b26-14+,27-24+
InChIKey
QQBKZPLGKBYNRX-GKHFXRNLSA-N
Synonyms
1164467-80-4
(17E)13methyl17((E)(135trimethylpyrazol4yl)methylidenehydrazinylidene)7891112141516octahydro6Hcyclopenta(a)phenanthren3ol
(17E)17((2E)((135TRIMETHYL1HPYRAZOL4YL)METHYLIDENE)HYDRAZINYLIDENE)ESTRA135(10)TRIEN3OL
1164467804
135TRIMETHYL1HPYRAZOLE4CARBALDEHYDE(3HYDROXYESTRA135(10)TRIEN17YLIDENE)HYDRAZONE
CC1=C(C(=NN1C)C)C=NN=C2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C
InChI=1SC25H32N4Oc11522(16(2)29(4)2815)14262724109232175171318(30)6819(17)20(21)111225(2324)3h68131420212330H57912H214H3b2614+2724+
MFCD02608670
Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=NN=Cc1c(C)nn(c1C)C)C
ZINC000013139209
ZINC000110975232

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Available files

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