Vitas-M small molecule compound
(16E)-16-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-3-hydroxyestra-1(10),2,4-trien-17-one
Catalog ID
STL402003
SMILES CCn1nc(c(c1)/C=C/1\CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)O)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 C25H30N2O2 MW 390.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O2/c1-4-27-14-18(15(2)26-27)11-17-13-23-22-7-5-16-12-19(28)6-8-20(16)21(22)9-10-25(23,3)24(17)29/h6,8,11-12,14,21-23,28H,4-5,7,9-10,13H2,1-3H3/b17-11+InChIKey
VFYSTCQWVDOPQD-GZTJUZNOSA-NSynonyms
(16E)16((1ethyl3methyl1Hpyrazol4yl)methylidene)3hydroxyestra1(10)24trien17one
(16E)16((1ethyl3methylpyrazol4yl)methylidene)3hydroxy13methyl678911121415octahydrocyclopenta(a)phenanthren17one
CCN1C=C(C(=N1)C)C=C2CC3C4CCC5=C(C4CCC3(C2=O)C)C=CC(=C5)O
CCn1nc(c(c1)C=C1CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)O)C
InChI=1SC25H30N2O2c14271418(15(2)2627)111713232275161219(28)6820(16)21(22)91025(233)24(17)29h68111214212328H45791013H213H3b1711+
MFCD28952613
ZINC000035678389
ZINC000253370726
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