Vitas-M small molecule compound
3-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-(4-methoxyphenyl)cyclohex-2-en-1-one
Catalog ID
STK207313
SMILES COc1ccc(cc1)C1CC(=CC(=O)C1)NCCc1c[nH]cn1
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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/c1-23-18-4-2-13(3-5-18)14-8-16(10-17(22)9-14)20-7-6-15-11-19-12-21-15/h2-5,10-12,14,20H,6-9H2,1H3,(H,19,21)InChIKey
ROLRBKSKEUZVJS-UHFFFAOYSA-NSynonyms
3((2(1Himidazol4yl)ethyl)amino)5(4methoxyphenyl)cyclohex2en1one
3(2(1HIMIDAZOL5YL)ETHYLAMINO)5(4METHOXYPHENYL)CYCLOHEX2EN1ONE
COC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCCC3=CN=CN3
COc1ccc(cc1)C1CC(=CC(=O)C1)NCCc1c(nH)cn1
InChI=1SC18H21N3O2c123184213(3518)14816(1017(22)914)2076151119122115h2510121420H69H21H3(H1921)
MFCD06240480
ZINC000100238475
ZINC000100238478
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