Vitas-M small molecule compound

2-butyl-5-{[(4-methoxyphenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one

Catalog ID
STK934140
SMILES CCCCn1[nH]c(nc1=O)CNc1ccc(cc1)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 C14H20N4O2 MW 276.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O2/c1-3-4-9-18-14(19)16-13(17-18)10-15-11-5-7-12(20-2)8-6-11/h5-8,15H,3-4,9-10H2,1-2H3,(H,16,17,19)
InChIKey
RPEWZXDWLOYICT-UHFFFAOYSA-N
Synonyms
1219549-41-3
1219549413
2butyl5(((4methoxyphenyl)amino)methyl)12dihydro3H124triazol3one
2butyl5(((4methoxyphenyl)amino)methyl)1H124triazol3(2H)one
2butyl5((4methoxyanilino)methyl)1H124triazol3one
CCCCn1(nH)c(nc1=O)CNc1ccc(cc1)OC
CCCCN1C(=O)N=C(N1)CNC2=CC=C(C=C2)OC
InChI=1SC14H20N4O2c13491814(19)1613(1718)1015115712(202)8611h5815H34910H212H3(H161719)
MFCD16625440
ZINC000040284352
ZINC40284352

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.