Vitas-M small molecule compound
{5-[(4-chlorobenzyl)amino]-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl}(3-methoxyphenyl)methanone
Catalog ID
STK211674
SMILES COc1cccc(c1)C(=O)n1nc(nc1NCc1ccc(cc1)Cl)c1ccco1
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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 C21H17ClN4O3 MW 408.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O3/c1-28-17-5-2-4-15(12-17)20(27)26-21(23-13-14-7-9-16(22)10-8-14)24-19(25-26)18-6-3-11-29-18/h2-12H,13H2,1H3,(H,23,24,25)InChIKey
KWQNNGVMFSVTGB-UHFFFAOYSA-NSynonyms
(5((4CHLOROBENZYL)AMINO)3(FURAN2YL)1H124TRIAZOL1YL)(3METHOXYPHENYL)METHANONE
(5((4CHLOROPHENYL)METHYLAMINO)3(FURAN2YL)124TRIAZOL1YL)(3METHOXYPHENYL)METHANONE
COC1=CC=CC(=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC=C(C=C4)Cl
InChI=1SC21H17ClN4O3c1281752415(1217)20(27)2621(2313147916(22)10814)2419(2526)1863112918h212H13H21H3(H232425)
MFCD08671651
ZINC000004777316
ZINC04777316
ZINC4777316
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