Vitas-M small molecule compound
[3,5-bis(benzylamino)-1H-1,2,4-triazol-1-yl](4-chlorophenyl)methanone
Catalog ID
STK187557
SMILES Clc1ccc(cc1)C(=O)n1nc(nc1NCc1ccccc1)NCc1ccccc1
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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 C23H20ClN5O MW 417.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O/c24-20-13-11-19(12-14-20)21(30)29-23(26-16-18-9-5-2-6-10-18)27-22(28-29)25-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H2,25,26,27,28)InChIKey
JSSZQJGLSLRYKG-UHFFFAOYSA-NSynonyms
(35BIS(BENZYLAMINO)124TRIAZOL1YL)(4CHLOROPHENYL)METHANONE
(35BIS(BENZYLAMINO)1H124TRIAZOL1YL)(4CHLOROPHENYL)METHANONE
C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl
InChI=1SC23H20ClN5Oc2420131119(121420)21(30)2923(26161895261018)2722(2829)2515177314817h114H1516H2(H225262728)
MFCD06664540
ZINC000004723801
ZINC04723801
ZINC4723801
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