Vitas-M small molecule compound
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STK634769
SMILES CCCCNC(=O)c1nnn(c1C)c1ccc2c(c1)c(on2)c1ccc(cc1)Br
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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 C21H20BrN5O2 MW 454.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5O2/c1-3-4-11-23-21(28)19-13(2)27(26-24-19)16-9-10-18-17(12-16)20(29-25-18)14-5-7-15(22)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,23,28)InChIKey
PCLGAOZGUGUOGT-UHFFFAOYSA-NSynonyms
951897-63-5(1(3(4BROMOPHENYL)BENZO(C)ISOXAZOL5YL)5METHYL(123TRIAZOL4YL))NBUTYLCARBOXAMIDE
1(3(4bromophenyl)21benzoxazol5yl)Nbutyl5methyl1H123triazole4carboxamide
1(3(4bromophenyl)21benzoxazol5yl)Nbutyl5methyltriazole4carboxamide
1(3(4bromophenyl)benzo(c)isoxazol5yl)Nbutyl5methyl1H123triazole4carboxamide
951897635
CCCCNC(=O)C1=C(N(N=N1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C
InChI=1SC21H20BrN5O2c134112321(28)1913(2)27(262419)169101817(1216)20(292518)145715(22)8614h51012H3411H212H3(H2328)
MFCD09983557
ZINC000011692866
ZINC11692866
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