Vitas-M small molecule compound
3-hydroxy-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-2-en-1-yl)-3-phenylprop-2-yn-1-yl]-5,5-dimethylcyclohex-2-en-1-one
Catalog ID
STK060188
SMILES O=C1CC(C)(C)C=C(C1C(C1=C(O)CC(CC1=O)(C)C)C#Cc1ccccc1)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 C25H28O4 MW 392.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28O4/c1-24(2)12-18(26)22(19(27)13-24)17(11-10-16-8-6-5-7-9-16)23-20(28)14-25(3,4)15-21(23)29/h5-9,12,17,22,26,28H,13-15H2,1-4H3InChIKey
IGTTWKKYQJDBTO-UHFFFAOYSA-NSynonyms
3HYDROXY2(1(2HYDROXY44DIMETHYL6OXOCYCLOHEX2EN1YL)3PHENYLPROP2YN1YL)55DIMETHYLCYCLOHEX2EN1ONE
3HYDROXY2(1(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)3PHENYLPROP2YNYL)55DIMETHYLCYCLOHEX3EN1ONE
CC1(CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3C(=O)CC(C=C3O)(C)C)O)C
InChI=1SC25H28O4c124(2)1218(26)22(19(27)1324)17(1110168657916)2320(28)1425(34)1521(23)29h591217222628H1315H214H3
MFCD08051501
O=C1CC(C)(C)C=C(C1C(C1=C(O)CC(CC1=O)(C)C)C#Cc1ccccc1)O
STK060188
ZINC000102473382
ZINC000102473393
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