Vitas-M small molecule compound
(2E,3E)-2-(4-bromobenzylidene)-3-(4H-1,2,4-triazol-3-ylimino)-2,3-dihydro-1H-inden-1-one
Catalog ID
STL367912
SMILES Brc1ccc(cc1)/C=C\1/C(=O)c2c(/C1=N\c1[nH]cnn1)cccc2
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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 C18H11BrN4O MW 379.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11BrN4O/c19-12-7-5-11(6-8-12)9-15-16(22-18-20-10-21-23-18)13-3-1-2-4-14(13)17(15)24/h1-10H,(H,20,21,23)/b15-9+,22-16+InChIKey
NWRSBIYVWMUTOK-HSGJKIJMSA-NSynonyms
(2E3E)2((4bromophenyl)methylidene)3(1H124triazol5ylimino)inden1one
(2E3E)2(4bromobenzylidene)3(4H124triazol3ylimino)23dihydro1Hinden1one
Brc1ccc(cc1)C=C1C(=O)c2c(C1=Nc1(nH)cnn1)cccc2
C1=CC=C2C(=C1)C(=NC3=NC=NN3)C(=CC4=CC=C(C=C4)Br)C2=O
InChI=1SC18H11BrN4Oc19127511(6812)91516(22182010212318)13312414(13)17(15)24h110H(H202123)b159+2216+
MFCD28951975
ZINC000098086390
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