Vitas-M small molecule compound
5-amino-N-(4-bromophenyl)-1-(2-oxo-2-{[4-(propan-2-yl)phenyl]amino}ethyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL192685
SMILES O=C(Cn1nnc(c1N)C(=O)Nc1ccc(cc1)Br)Nc1ccc(cc1)C(C)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 C20H21BrN6O2 MW 457.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN6O2/c1-12(2)13-3-7-15(8-4-13)23-17(28)11-27-19(22)18(25-26-27)20(29)24-16-9-5-14(21)6-10-16/h3-10,12H,11,22H2,1-2H3,(H,23,28)(H,24,29)InChIKey
DZENZDAMUDOWIP-UHFFFAOYSA-NSynonyms
5aminoN(4bromophenyl)1(2oxo2((4(propan2yl)phenyl)amino)ethyl)1H123triazole4carboxamide
5aminoN(4bromophenyl)1(2oxo2(4propan2ylanilino)ethyl)triazole4carboxamide
CC(C)C1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)Br)N
InChI=1SC20H21BrN6O2c112(2)133715(8413)2317(28)112719(22)18(252627)20(29)24169514(21)61016h31012H1122H212H3(H2328)(H2429)
MFCD14928161
ZINC000009227023
ZINC9227023
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