Vitas-M small molecule compound
2-{1-[(1H-benzimidazol-2-ylmethyl)amino]ethylidene}cyclohexane-1,3-dione
Catalog ID
STK684473
SMILES CC(=C1C(=O)CCCC1=O)NCc1nc2c([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 C16H17N3O2 MW 283.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O2/c1-10(16-13(20)7-4-8-14(16)21)17-9-15-18-11-5-2-3-6-12(11)19-15/h2-3,5-6,17H,4,7-9H2,1H3,(H,18,19)InChIKey
KNUVAYGGPWEFHY-UHFFFAOYSA-NSynonyms
2(1((1Hbenzimidazol2ylmethyl)amino)ethylidene)cyclohexane13dione
2(1(1HBENZIMIDAZOL2YLMETHYLAMINO)ETHYLIDENE)CYCLOHEXANE13DIONE
CC(=C1C(=O)CCCC1=O)NCc1nc2c((nH)1)cccc2
CC(=C1C(=O)CCCC1=O)NCC2=NC3=CC=CC=C3N2
InChI=1SC16H17N3O2c110(1613(20)74814(16)21)179151811523612(11)1915h235617H479H21H3(H1819)
MFCD05854677
ZINC000100168105
ZINC100168105
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