Vitas-M small molecule compound
1-[5-{[4-(dimethylamino)benzyl]amino}-3-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Catalog ID
STK201151
SMILES CC(CC(=O)n1nc(nc1NCc1ccc(cc1)N(C)C)c1ccc(cc1)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 C23H29N5O MW 391.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O/c1-16(2)14-21(29)28-23(24-15-18-8-12-20(13-9-18)27(4)5)25-22(26-28)19-10-6-17(3)7-11-19/h6-13,16H,14-15H2,1-5H3,(H,24,25,26)InChIKey
SSQOBKBCSKVGPI-UHFFFAOYSA-NSynonyms
1(5((4(DIMETHYLAMINO)BENZYL)AMINO)3(4METHYLPHENYL)1H124TRIAZOL1YL)3METHYLBUTAN1ONE
1(5((4(dimethylamino)phenyl)methylamino)3(4methylphenyl)124triazol1yl)3methylbutan1one
1(5((4DIMETHYLAMINOPHENYL)METHYLAMINO)3(4METHYLPHENYL)124TRIAZOL1YL)3METHYLBUTAN1ONE
CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)N(C)C)C(=O)CC(C)C
InChI=1SC23H29N5Oc116(2)1421(29)2823(24151881220(13918)27(4)5)2522(2628)1910617(3)71119h61316H1415H215H3(H242526)
MFCD06666575
ZINC000004739681
ZINC04739681
ZINC4739681
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