Vitas-M small molecule compound
1-(4-bromophenyl)-6-(pyridin-2-yl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione
Catalog ID
STK679741
SMILES Brc1ccc(cc1)N1N=NC2C1C1CC2C2C1C(=O)N(C2=O)c1ccccn1
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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 C20H16BrN5O2 MW 438.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN5O2/c21-10-4-6-11(7-5-10)26-18-13-9-12(17(18)23-24-26)15-16(13)20(28)25(19(15)27)14-3-1-2-8-22-14/h1-8,12-13,15-18H,9H2InChIKey
HDCGBPKOWHLDLJ-UHFFFAOYSA-NSynonyms
1(4bromophenyl)6(pyridin2yl)3a44a7a88ahexahydro48methano(123)triazolo(45f)isoindole57(1H6H)dione
C1C2C3C(C1C4C2N=NN4C5=CC=C(C=C5)Br)C(=O)N(C3=O)C6=CC=CC=N6
InChI=1SC20H16BrN5O2c21104611(7510)261813912(17(18)232426)1516(13)20(28)25(19(15)27)1431282214h1812131518H9H2
MFCD03765914
ZINC000008846733
ZINC000238899738
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