Vitas-M small molecule compound
1-{3,5-bis[(naphthalen-1-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}-2-methylpropan-1-one
Catalog ID
STK179053
SMILES O=C(n1nc(nc1NCc1cccc2c1cccc2)NCc1cccc2c1cccc2)C(C)C
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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 C28H27N5O MW 449.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O/c1-19(2)26(34)33-28(30-18-23-14-8-12-21-10-4-6-16-25(21)23)31-27(32-33)29-17-22-13-7-11-20-9-3-5-15-24(20)22/h3-16,19H,17-18H2,1-2H3,(H2,29,30,31,32)InChIKey
LDBGXFFYTXKGPB-UHFFFAOYSA-NSynonyms
1(35BIS((NAPHTHALEN1YLMETHYL)AMINO)1H124TRIAZOL1YL)2METHYLPROPAN1ONE
1(35bis(naphthalen1ylmethylamino)124triazol1yl)2methylpropan1one
CC(C)C(=O)N1C(=NC(=N1)NCC2=CC=CC3=CC=CC=C32)NCC4=CC=CC5=CC=CC=C54
InChI=1SC28H27N5Oc119(2)26(34)3328(301823148122110461625(21)23)3127(3233)29172213711209351524(20)22h31619H1718H212H3(H229303132)
MFCD06664101
ZINC000009948707
ZINC09948707
ZINC9948707
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