Vitas-M small molecule compound
1-{5-[(3,4-dimethoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}-2,2-dimethylpropan-1-one
Catalog ID
STK227670
SMILES COc1cc(CNc2nc(nn2C(=O)C(C)(C)C)c2cccnc2)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 C21H25N5O3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3/c1-21(2,3)19(27)26-20(24-18(25-26)15-7-6-10-22-13-15)23-12-14-8-9-16(28-4)17(11-14)29-5/h6-11,13H,12H2,1-5H3,(H,23,24,25)InChIKey
ZEPJHOMSKCMHPE-UHFFFAOYSA-NSynonyms
1(5((34DIMETHOXYBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)22DIMETHYLPROPAN1ONE
1(5((34DIMETHOXYPHENYL)METHYLAMINO)3PYRIDIN3YL124TRIAZOL1YL)22DIMETHYLPROPAN1ONE
CC(C)(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC(=C(C=C3)OC)OC
InChI=1SC21H25N5O3c121(23)19(27)2620(2418(2526)157610221315)2312148916(284)17(1114)295h61113H12H215H3(H232425)
MFCD07792133
ZINC000004732535
ZINC04732535
ZINC4732535
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