Vitas-M small molecule compound

1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one

Catalog ID
STK169713
SMILES CCCC(=O)n1nc(nc1NCc1ccc(cc1)OC)NCc1ccc(cc1)OC

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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 C22H27N5O3 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3/c1-4-5-20(28)27-22(24-15-17-8-12-19(30-3)13-9-17)25-21(26-27)23-14-16-6-10-18(29-2)11-7-16/h6-13H,4-5,14-15H2,1-3H3,(H2,23,24,25,26)
InChIKey
DEXPRKUPQKVGCR-UHFFFAOYSA-N
Synonyms

1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)BUTAN1ONE
1(35BIS((4METHOXYPHENYL)METHYLAMINO)124TRIAZOL1YL)BUTAN1ONE
1BUTYRYLNNBIS(4METHOXYBENZYL)1H124TRIAZOLE35DIAMINE
CCCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC
InChI=1SC22H27N5O3c14520(28)2722(24151781219(303)13917)2521(2627)23141661018(292)11716h613H451415H213H3(H223242526)
MFCD06629867
ZINC000002884247
ZINC02884247
ZINC2884247

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Available files

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