Vitas-M small molecule compound
5-(4-tert-butylphenyl)-3-{[2-(1H-imidazol-4-yl)ethyl]amino}cyclohex-2-en-1-one
Catalog ID
STK207340
SMILES O=C1C=C(NCCc2c[nH]cn2)CC(C1)c1ccc(cc1)C(C)(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 C21H27N3O MW 337.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O/c1-21(2,3)17-6-4-15(5-7-17)16-10-19(12-20(25)11-16)23-9-8-18-13-22-14-24-18/h4-7,12-14,16,23H,8-11H2,1-3H3,(H,22,24)InChIKey
RGRKCJNYATUFGD-UHFFFAOYSA-NSynonyms
3(2(1HIMIDAZOL4YL)ETHYLAMINO)5(4TERTBUTYLPHENYL)CYCLOHEX2ENONE
5(4(TERTBUTYL)PHENYL)3((2IMIDAZOL4YLETHYL)AMINO)CYCLOHEX2EN1ONE
5(4tertbutylphenyl)3((2(1Himidazol4yl)ethyl)amino)cyclohex2en1one
5(4TERTBUTYLPHENYL)3(2(1HIMIDAZOL5YL)ETHYLAMINO)CYCLOHEX2EN1ONE
CC(C)(C)C1=CC=C(C=C1)C2CC(=CC(=O)C2)NCCC3=CN=CN3
InChI=1SC21H27N3Oc121(23)176415(5717)161019(1220(25)1116)2398181322142418h4712141623H811H213H3(H2224)
MFCD06240501
O=C1C=C(NCCc2c(nH)cn2)CC(C1)c1ccc(cc1)C(C)(C)C
ZINC000100432742
ZINC000100432745
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