Vitas-M small molecule compound
2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Catalog ID
STK956225
SMILES N#Cc1c(N)nc2c(c1c1sc(c(c1)COc1ccccc1Br)C)CCCCC2
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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/c1-14-15(13-28-20-10-6-5-8-18(20)24)11-21(29-14)22-16-7-3-2-4-9-19(16)27-23(26)17(22)12-25/h5-6,8,10-11H,2-4,7,9,13H2,1H3,(H2,26,27)InChIKey
VBGFCFKCNSZFGS-UHFFFAOYSA-NSynonyms
438224-37-42amino4(4((2bromophenoxy)methyl)5methylthiophen2yl)6789tetrahydro5Hcyclohepta(b)pyridine3carbonitrile
438224374
CC1=C(C=C(S1)C2=C(C(=NC3=C2CCCCC3)N)C#N)COC4=CC=CC=C4Br
InChI=1SC23H22BrN3OSc11415(1328201065818(20)24)1121(2914)22167324919(16)2723(26)17(22)1225h5681011H247913H21H3(H22627)
MFCD03074819
ZINC000019841751
ZINC19841751
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