Vitas-M small molecule compound
4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]benzonitrile
Catalog ID
STK095782
SMILES N#Cc1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)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 C24H27NO4 MW 393.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO4/c1-23(2)9-16(26)21(17(27)10-23)20(15-7-5-14(13-25)6-8-15)22-18(28)11-24(3,4)12-19(22)29/h5-8,20-21,28H,9-12H2,1-4H3InChIKey
BEMRBFZYOWCMBU-UHFFFAOYSA-NSynonyms
4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)BENZONITRILE
4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)BENZONITRILE
4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)BENZONITRILE
4((44DIMETHYL26DIOXOCYCLOHEXYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)BENZENECARBONITRILE
CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)C#N)C3=C(CC(CC3=O)(C)C)O)C
InChI=1SC24H27NO4c123(2)916(26)21(17(27)1023)20(157514(1325)6815)2218(28)1124(34)1219(22)29h58202128H912H214H3
MFCD00557013
N#Cc1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
STK095782
ZINC000100004687
ZINC000100004689
Check stock
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Check stock on Vitas-MAvailable files
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