Vitas-M small molecule compound
1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-methylbutan-1-one
Catalog ID
STK179026
SMILES COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)CC(C)C)ccc1OC
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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 C25H33N5O5 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O5/c1-16(2)11-23(31)30-25(27-15-18-8-10-20(33-4)22(13-18)35-6)28-24(29-30)26-14-17-7-9-19(32-3)21(12-17)34-5/h7-10,12-13,16H,11,14-15H2,1-6H3,(H2,26,27,28,29)InChIKey
BNNJOQFVQYJPKO-UHFFFAOYSA-NSynonyms
1(35BIS((34DIMETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3METHYLBUTAN1ONE
1(35bis((34dimethoxyphenyl)methylamino)124triazol1yl)3methylbutan1one
CC(C)CC(=O)N1C(=NC(=N1)NCC2=CC(=C(C=C2)OC)OC)NCC3=CC(=C(C=C3)OC)OC
InChI=1SC25H33N5O5c116(2)1123(31)3025(27151881020(334)22(1318)356)2824(2930)2614177919(323)21(1217)345h710121316H111415H216H3(H226272829)
MFCD06664083
ZINC000009948685
ZINC09948685
ZINC9948685
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