Vitas-M small molecule compound
1-{5-[(3,4-dimethoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}-3-methylbutan-1-one
Catalog ID
STK227659
SMILES COc1cc(CNc2nc(nn2C(=O)CC(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/c1-14(2)10-19(27)26-21(24-20(25-26)16-6-5-9-22-13-16)23-12-15-7-8-17(28-3)18(11-15)29-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,23,24,25)InChIKey
KOBIACUGAHNWTA-UHFFFAOYSA-NSynonyms
1(5((34DIMETHOXYBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)3METHYLBUTAN1ONE
1(5((34DIMETHOXYPHENYL)METHYLAMINO)3PYRIDIN3YL124TRIAZOL1YL)3METHYLBUTAN1ONE
CC(C)CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC(=C(C=C3)OC)OC
InChI=1SC21H25N5O3c114(2)1019(27)2621(2420(2526)16659221316)2312157817(283)18(1115)294h59111314H1012H214H3(H232425)
MFCD08671756
ZINC000004732520
ZINC04732520
ZINC4732520
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