Vitas-M small molecule compound
5-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-2-yl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STL399799
SMILES CC(c1nnc(n1CCCN1CCOCC1)S)Cn1nc(cc1C)[N+](=O)[O-]
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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 C16H25N7O3S MW 395.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N7O3S/c1-12(11-22-13(2)10-14(19-22)23(24)25)15-17-18-16(27)21(15)5-3-4-20-6-8-26-9-7-20/h10,12H,3-9,11H2,1-2H3,(H,18,27)InChIKey
ARXYQBOZIJOQIE-UHFFFAOYSA-NSynonyms
1005585-24-91005585249
3(1(5METHYL3NITROPYRAZOL1YL)PROPAN2YL)4(3MORPHOLIN4YLPROPYL)1H124TRIAZOLE5THIONE
5(1(5METHYL3NITRO1HPYRAZOL1YL)PROPAN2YL)4(3(MORPHOLIN4YL)PROPYL)4H124TRIAZOLE3THIOL
CC(c1nnc(n1CCCN1CCOCC1)S)Cn1nc(cc1C)(N+)(=O)(O)
CC1=CC(=NN1CC(C)C2=NNC(=S)N2CCCN3CCOCC3)(N+)(=O)(O)
InChI=1SC16H25N7O3Sc112(112213(2)1014(1922)23(24)25)15171816(27)21(15)5342068269720h1012H3911H212H3(H1827)
MFCD04052733
ZINC000020608498
ZINC000020608500
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