Vitas-M small molecule compound
2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog ID
STK956167
SMILES CCc1sc(cc1COc1ccc(cc1)Br)c1c(C#N)c(N)nc2c1CCCC2
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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 C23H22BrN3OS MW 468.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN3OS/c1-2-20-14(13-28-16-9-7-15(24)8-10-16)11-21(29-20)22-17-5-3-4-6-19(17)27-23(26)18(22)12-25/h7-11H,2-6,13H2,1H3,(H2,26,27)InChIKey
AVFZWFZNTGQVGE-UHFFFAOYSA-NSynonyms
445259-74-52amino4(4((4bromophenoxy)methyl)5ethylthiophen2yl)5678tetrahydroquinoline3carbonitrile
445259745
CCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCC3)N)C#N)COC4=CC=C(C=C4)Br
InChI=1SC23H22BrN3OSc122014(1328169715(24)81016)1121(2920)2217534619(17)2723(26)18(22)1225h711H2613H21H3(H22627)
MFCD03074698
ZINC000019841689
ZINC19841689
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