Vitas-M small molecule compound
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306425
SMILES [O-][N+](=O)c1c(C)nn(c1C)CCc1nnc(n1CCCN1CCOCC1)S
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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/c1-12-15(23(24)25)13(2)22(19-12)7-4-14-17-18-16(27)21(14)6-3-5-20-8-10-26-11-9-20/h3-11H2,1-2H3,(H,18,27)InChIKey
LEOVGYVIBSCAEX-UHFFFAOYSA-NSynonyms
1005638-47-0(O)(N+)(=O)c1c(C)nn(c1C)CCc1nnc(n1CCCN1CCOCC1)S
1005638470
3(2(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4(3MORPHOLIN4YLPROPYL)1H124TRIAZOLE5THIONE
5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4(3(morpholin4yl)propyl)4H124triazole3thiol
CC1=C(C(=NN1CCC2=NNC(=S)N2CCCN3CCOCC3)C)(N+)(=O)(O)
InChI=1SC16H25N7O3Sc11215(23(24)25)13(2)22(1912)7414171816(27)21(14)635208102611920h311H212H3(H1827)
MFCD04056339
ZINC000020028569
ZINC20028569
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