Vitas-M small molecule compound
(16E)-16-(4-methoxybenzylidene)-17-oxoestra-1(10),2,4-trien-3-yl acetate
Catalog ID
STL174185
SMILES COc1ccc(cc1)/C=C/1\CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)OC(=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 C28H30O4 MW 430.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O4/c1-17(29)32-22-9-11-23-19(15-22)6-10-25-24(23)12-13-28(2)26(25)16-20(27(28)30)14-18-4-7-21(31-3)8-5-18/h4-5,7-9,11,14-15,24-26H,6,10,12-13,16H2,1-3H3/b20-14+InChIKey
FJIRFWDJPBXNKB-XSFVSMFZSA-NSynonyms
((16E)16((4methoxyphenyl)methylidene)13methyl17oxo678911121415octahydrocyclopenta(a)phenanthren3yl)acetate
(16E)16(4methoxybenzylidene)17oxoestra1(10)24trien3ylacetate
CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=CC5=CC=C(C=C5)OC)C4=O)C
COc1ccc(cc1)C=C1CC2C(C1=O)(C)CCC1C2CCc2c1ccc(c2)OC(=O)C
InChI=1SC28H30O4c117(29)32229112319(1522)6102524(23)121328(2)26(25)1620(27(28)30)14184721(313)8518h45791114152426H610121316H213H3b2014+
MFCD08554540
ZINC000036612258
ZINC000041181195
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