Vitas-M small molecule compound
{3,5-bis[(4-methylbenzyl)amino]-1H-1,2,4-triazol-1-yl}(2-methoxyphenyl)methanone
Catalog ID
STK178948
SMILES COc1ccccc1C(=O)n1nc(nc1NCc1ccc(cc1)C)NCc1ccc(cc1)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 C26H27N5O2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O2/c1-18-8-12-20(13-9-18)16-27-25-29-26(28-17-21-14-10-19(2)11-15-21)31(30-25)24(32)22-6-4-5-7-23(22)33-3/h4-15H,16-17H2,1-3H3,(H2,27,28,29,30)InChIKey
RTOOEEDVQVEVAE-UHFFFAOYSA-NSynonyms
(35BIS((4METHYLBENZYL)AMINO)1H124TRIAZOL1YL)(2METHOXYPHENYL)METHANONE
(35bis((4methylphenyl)methylamino)124triazol1yl)(2methoxyphenyl)methanone
CC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)C)C(=O)C4=CC=CC=C4OC
InChI=1SC26H27N5O2c11881220(13918)1627252926(281721141019(2)111521)31(3025)24(32)22645723(22)333h415H1617H213H3(H227282930)
MFCD06664012
ZINC000009948618
ZINC09948618
ZINC9948618
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