Vitas-M small molecule compound
1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one
Catalog ID
STK178965
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)CCC)NCc1ccc(cc1)OCC
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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 C24H31N5O3 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O3/c1-4-7-22(30)29-24(26-17-19-10-14-21(15-11-19)32-6-3)27-23(28-29)25-16-18-8-12-20(13-9-18)31-5-2/h8-15H,4-7,16-17H2,1-3H3,(H2,25,26,27,28)InChIKey
IVBHGIUMFGDBSU-UHFFFAOYSA-NSynonyms
1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)BUTAN1ONE
1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)butan1one
CCCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OCC)NCC3=CC=C(C=C3)OCC
InChI=1SC24H31N5O3c14722(30)2924(261719101421(151119)3263)2723(2829)25161881220(13918)3152h815H471617H213H3(H225262728)
MFCD06664029
ZINC000009948625
ZINC09948625
ZINC9948625
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