Vitas-M small molecule compound

{3,5-bis[(2-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(3,4-dimethoxyphenyl)methanone

Catalog ID
STK178917
SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1NCc1ccccc1Cl)NCc1ccccc1Cl

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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 C25H23Cl2N5O3 MW 512.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23Cl2N5O3/c1-34-21-12-11-16(13-22(21)35-2)23(33)32-25(29-15-18-8-4-6-10-20(18)27)30-24(31-32)28-14-17-7-3-5-9-19(17)26/h3-13H,14-15H2,1-2H3,(H2,28,29,30,31)
InChIKey
BUDICHXXUFUUGC-UHFFFAOYSA-N
Synonyms

(35BIS((2CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)(34DIMETHOXYPHENYL)METHANONE
(35bis((2chlorophenyl)methylamino)124triazol1yl)(34dimethoxyphenyl)methanone
COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)NCC3=CC=CC=C3Cl)NCC4=CC=CC=C4Cl)OC
InChI=1SC25H23Cl2N5O3c13421121116(1322(21)352)23(33)3225(2915188461020(18)27)3024(3132)281417735919(17)26h313H1415H212H3(H228293031)
MFCD06663986
ZINC000009948582
ZINC09948582
ZINC9948582

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Available files

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