Vitas-M small molecule compound
1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one
Catalog ID
STK179013
SMILES CCCC(=O)n1nc(nc1NCc1ccc(c(c1)OC)OC)NCc1ccc(c(c1)OC)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 C24H31N5O5 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O5/c1-6-7-22(30)29-24(26-15-17-9-11-19(32-3)21(13-17)34-5)27-23(28-29)25-14-16-8-10-18(31-2)20(12-16)33-4/h8-13H,6-7,14-15H2,1-5H3,(H2,25,26,27,28)InChIKey
WSFHTGZIXXNZGF-UHFFFAOYSA-NSynonyms
1(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)BUTAN1ONE
1(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)butan1one
CCCC(=O)N1C(=NC(=N1)NCC2=CC(=C(C=C2)OC)OC)NCC3=CC(=C(C=C3)OC)OC
InChI=1SC24H31N5O5c16722(30)2924(26151791119(323)21(1317)345)2723(2829)25141681018(312)20(1216)334h813H671415H215H3(H225262728)
MFCD06664072
ZINC000009948669
ZINC09948669
ZINC9948669
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