Vitas-M small molecule compound

3-(4-benzyl-3,5-dimethyl-1H-pyrazol-1-yl)-8-bromo-5H-[1,2,4]triazino[5,6-b]indole

Catalog ID
STK709531
SMILES Brc1ccc2c(c1)c1nnc(nc1[nH]2)n1nc(c(c1C)Cc1ccccc1)C

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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 C21H17BrN6 MW 433.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN6/c1-12-16(10-14-6-4-3-5-7-14)13(2)28(27-12)21-24-20-19(25-26-21)17-11-15(22)8-9-18(17)23-20/h3-9,11H,10H2,1-2H3,(H,23,24,26)
InChIKey
NJBIOEQXUVTFAA-UHFFFAOYSA-N
Synonyms
311814-00-3
3(4benzyl35dimethyl1Hpyrazol1yl)8bromo5H(124)triazino(56b)indole
3(4BENZYL35DIMETHYLPYRAZOL1YL)8BROMO5H(124)TRIAZINO(56B)INDOLE
311814003
Brc1ccc2c(c1)c1nnc(nc1(nH)2)n1nc(c(c1C)Cc1ccccc1)C
CC1=C(C(=NN1C2=NC3=C(C4=C(N3)C=CC(=C4)Br)N=N2)C)CC5=CC=CC=C5
InChI=1SC21H17BrN6c11216(10146435714)13(2)28(2712)21242019(252621)171115(22)8918(17)2320h3911H10H212H3(H232426)
MFCD00640492
ZINC000000975803
ZINC00975803
ZINC975803

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Available files

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