Vitas-M small molecule compound
1-{3,5-bis[(2-chloro-6-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-methylbutan-1-one
Catalog ID
STK179044
SMILES CC(CC(=O)n1nc(nc1NCc1c(F)cccc1Cl)NCc1c(F)cccc1Cl)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 C21H21Cl2F2N5O MW 468.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2F2N5O/c1-12(2)9-19(31)30-21(27-11-14-16(23)6-4-8-18(14)25)28-20(29-30)26-10-13-15(22)5-3-7-17(13)24/h3-8,12H,9-11H2,1-2H3,(H2,26,27,28,29)InChIKey
HNYGOYCLTLBWRM-UHFFFAOYSA-NSynonyms
1(35BIS((2CHLORO6FLUOROBENZYL)AMINO)1H124TRIAZOL1YL)3METHYLBUTAN1ONE
1(35bis((2chloro6fluorophenyl)methylamino)124triazol1yl)3methylbutan1one
CC(C)CC(=O)N1C(=NC(=N1)NCC2=C(C=CC=C2Cl)F)NCC3=C(C=CC=C3Cl)F
InChI=1SC21H21Cl2F2N5Oc112(2)919(31)3021(27111416(23)64818(14)25)2820(2930)26101315(22)53717(13)24h3812H911H212H3(H226272829)
MFCD06664094
ZINC000009948700
ZINC09948700
ZINC9948700
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