Vitas-M small molecule compound
6-[(4-bromophenoxy)methyl]-3-[5-(2-methylpropyl)-1H-pyrazol-3-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK646576
SMILES CC(Cc1[nH]nc(c1)c1nnc2n1nc(s2)COc1ccc(cc1)Br)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 C17H17BrN6OS MW 433.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN6OS/c1-10(2)7-12-8-14(20-19-12)16-21-22-17-24(16)23-15(26-17)9-25-13-5-3-11(18)4-6-13/h3-6,8,10H,7,9H2,1-2H3,(H,19,20)InChIKey
AOJNKGXECSBUMB-UHFFFAOYSA-NSynonyms
1050286-53-71050286537
6((4bromophenoxy)methyl)3(3isobutyl1Hpyrazol5yl)(124)triazolo(34b)(134)thiadiazole
6((4bromophenoxy)methyl)3(5(2methylpropyl)1Hpyrazol3yl)(124)triazolo(34b)(134)thiadiazole
CC(C)CC1=CC(=NN1)C2=NN=C3N2N=C(S3)COC4=CC=C(C=C4)Br
CC(Cc1(nH)nc(c1)c1nnc2n1nc(s2)COc1ccc(cc1)Br)C
CC(Cc1cc((nH)n1)c1nnc2n1nc(s2)COc1ccc(cc1)Br)C
InChI=1SC17H17BrN6OSc110(2)712814(201912)1621221724(16)2315(2617)925135311(18)4613h36810H79H212H3(H1920)
MFCD18164295
ZINC000013690370
ZINC13690370
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