Vitas-M small molecule compound
2-({[2-(1H-benzimidazol-2-yl)ethyl]amino}methylidene)-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK684467
SMILES O=C1CC(C)(C)CC(=O)C1=CNCCc1nc2c([nH]1)cccc2
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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 C18H21N3O2 MW 311.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O2/c1-18(2)9-15(22)12(16(23)10-18)11-19-8-7-17-20-13-5-3-4-6-14(13)21-17/h3-6,11,19H,7-10H2,1-2H3,(H,20,21)InChIKey
GYPWQGRRTAKCJK-UHFFFAOYSA-NSynonyms
2(((2(1Hbenzimidazol2yl)ethyl)amino)methylidene)55dimethylcyclohexane13dione
2((2(1HBENZIMIDAZOL2YL)ETHYLAMINO)METHYLIDENE)55DIMETHYLCYCLOHEXANE13DIONE
CC1(CC(=O)C(=CNCCC2=NC3=CC=CC=C3N2)C(=O)C1)C
InChI=1SC18H21N3O2c118(2)915(22)12(16(23)1018)111987172013534614(13)2117h361119H710H212H3(H2021)
MFCD05854671
O=C1CC(C)(C)CC(=O)C1=CNCCc1nc2c((nH)1)cccc2
ZINC000100168064
ZINC100168064
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