Vitas-M small molecule compound
5,5-dimethyl-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Catalog ID
STK044793
SMILES O=C1CC(C)(C)CC(=O)C1=CNCCN1CCN(CC1)C1OC(=O)c2c1cccc2
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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 C23H29N3O4 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O4/c1-23(2)13-19(27)18(20(28)14-23)15-24-7-8-25-9-11-26(12-10-25)21-16-5-3-4-6-17(16)22(29)30-21/h3-6,15,21,24H,7-14H2,1-2H3InChIKey
KMUKKCYQRFEQAI-UHFFFAOYSA-NSynonyms
55DIMETHYL2(((2(4(3OXO13DIHYDRO2BENZOFURAN1YL)1PIPERAZINYL)ETHYL)AMINO)METHYLENE)13CYCLOHEXANEDIONE
55DIMETHYL2(((2(4(3OXO13DIHYDRO2BENZOFURAN1YL)PIPERAZIN1YL)ETHYL)AMINO)METHYLIDENE)CYCLOHEXANE13DIONE
55dimethyl2(((2(4(3oxo13dihydroisobenzofuran1yl)piperazin1yl)ethyl)amino)methylene)cyclohexane13dione
55DIMETHYL2(((2(4(3OXOHYDROISOBENZOFURANYL)PIPERAZINYL)ETHYL)AMINO)METHYLENE)CYCLOHEXANE13DIONE
55DIMETHYL2((2(4(3OXO1H2BENZOFURAN1YL)PIPERAZIN1YL)ETHYLAMINO)METHYLIDENE)CYCLOHEXANE13DIONE
CC1(CC(=O)C(=CNCCN2CCN(CC2)C3C4=CC=CC=C4C(=O)O3)C(=O)C1)C
InChI=1SC23H29N3O4c123(2)1319(27)18(20(28)1423)1524782591126(121025)2116534617(16)22(29)3021h36152124H714H212H3
MFCD03488848
O=C1CC(C)(C)CC(=O)C1=CNCCN1CCN(CC1)C1OC(=O)c2c1cccc2
STK044793
ZINC000100428196
ZINC000100428200
Check stock
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Check stock on Vitas-MAvailable files
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