Vitas-M small molecule compound
2,2'-(1-phenylprop-1-yne-3,3-diyl)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STK052599
SMILES OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)C#Cc1ccccc1
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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/h5-9,17,26,28H,12-15H2,1-4H3InChIKey
QXCQIANZEOKUIY-UHFFFAOYSA-NSynonyms
112403-24-4112403244
22(1PHENYLPROP1YNE33DIYL)BIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
22(3phenylprop2yne11diyl)bis(3hydroxy55dimethylcyclohex2enone)
3hydroxy2(1(2hydroxy44dimethyl6oxocyclohexen1yl)3phenylprop2ynyl)55dimethylcyclohex2en1one
CC1(CC(=C(C(=O)C1)C(C#CC2=CC=CC=C2)C3=C(CC(CC3=O)(C)C)O)O)C
InChI=1SC25H28O4c124(2)1218(26)22(19(27)1324)17(1110168657916)2320(28)1425(34)1521(23)29h59172628H1215H214H3
MFCD01171220
OC1=C(C(=O)CC(C1)(C)C)C(C1=C(O)CC(CC1=O)(C)C)C#Cc1ccccc1
STK052599
ZINC000084415970
ZINC84415970
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