Vitas-M small molecule compound
(16Z)-3-hydroxy-16-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]androst-5-en-17-one
Catalog ID
STK955850
SMILES OC1CCC2(C(=CCC3C2CCC2(C3C/C(=C/c3c(C)nn(c3C)C)/C2=O)C)C1)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 C26H36N2O2 MW 408.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O2/c1-15-21(16(2)28(5)27-15)12-17-13-23-20-7-6-18-14-19(29)8-10-25(18,3)22(20)9-11-26(23,4)24(17)30/h6,12,19-20,22-23,29H,7-11,13-14H2,1-5H3/b17-12-InChIKey
LLACSJNGOUDMMQ-ATVHPVEESA-NSynonyms
1092769-35-1(16Z)3hydroxy1013dimethyl16((135trimethylpyrazol4yl)methylidene)23478911121415decahydro1Hcyclopenta(a)phenanthren17one
(16Z)3hydroxy16((135trimethyl1Hpyrazol4yl)methylidene)androst5en17one
1092769351
3HYDROXY16((135TRIMETHYL1HPYRAZOL4YL)METHYLENE)ANDROST5EN17ONE
CC1=C(C(=NN1C)C)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O
InChI=1SC26H36N2O2c11521(16(2)28(5)2715)121713232076181419(29)81025(183)22(20)91126(234)24(17)30h6121920222329H7111314H215H3b1712
MFCD03073845
OC1CCC2(C(=CCC3C2CCC2(C3CC(=Cc3c(C)nn(c3C)C)C2=O)C)C1)C
ZINC000038204646
ZINC000253503720
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