Vitas-M small molecule compound

5-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK307102
SMILES Cc1nn(c(c1Br)C)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 C21H27BrN6OS MW 491.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27BrN6OS/c1-15-19(22)16(2)28(25-15)14-17-5-3-6-18(13-17)20-23-24-21(30)27(20)8-4-7-26-9-11-29-12-10-26/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,24,30)
InChIKey
AQDNHQDSUFIBJQ-UHFFFAOYSA-N
Synonyms
1005611-74-4
1005611744
3(3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)PHENYL)4(3MORPHOLIN4YLPROPYL)1H124TRIAZOLE5THIONE
5(3((4bromo35dimethyl1Hpyrazol1yl)methyl)phenyl)4(3(morpholin4yl)propyl)4H124triazole3thiol
5(3((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)PHENYL)4(3MORPHOLIN4YLPROPYL)24DIHYDRO3H124TRIAZOLE3THIONE
CC1=C(C(=NN1CC2=CC=CC(=C2)C3=NNC(=S)N3CCCN4CCOCC4)C)Br
InChI=1SC21H27BrN6OSc11519(22)16(2)28(2515)141753618(1317)20232421(30)27(20)8472691129121026h35613H471214H212H3(H2430)
MFCD04052735
ZINC000020028622
ZINC20028622

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Available files

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