Vitas-M small molecule compound
5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307218
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1cccc(c1)c1nnc(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 C21H27N7O3S MW 457.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N7O3S/c1-15-19(28(29)30)16(2)27(24-15)14-17-5-3-6-18(13-17)20-22-23-21(32)26(20)8-4-7-25-9-11-31-12-10-25/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,23,32)InChIKey
MZRBQENJPQJXBW-UHFFFAOYSA-NSynonyms
1005591-56-9(O)(N+)(=O)c1c(C)nn(c1C)Cc1cccc(c1)c1nnc(n1CCCN1CCOCC1)S
1005591569
3(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)PHENYL)4(3MORPHOLIN4YLPROPYL)1H124TRIAZOLE5THIONE
5(3((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)4(3(morpholin4yl)propyl)4H124triazole3thiol
CC1=C(C(=NN1CC2=CC=CC(=C2)C3=NNC(=S)N3CCCN4CCOCC4)C)(N+)(=O)(O)
InChI=1SC21H27N7O3Sc11519(28(29)30)16(2)27(2415)141753618(1317)20222321(32)26(20)8472591131121025h35613H471214H212H3(H2332)
MFCD04056637
ZINC000020028635
ZINC20028635
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