Vitas-M small molecule compound
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL399682
SMILES [O-][N+](=O)c1nn(cc1Br)Cc1cccc(c1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1
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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 C22H14BrN9O2 MW 516.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN9O2/c23-18-12-29(28-22(18)32(33)34)11-14-5-4-6-15(9-14)19-26-21-17-10-25-31(16-7-2-1-3-8-16)20(17)24-13-30(21)27-19/h1-10,12-13H,11H2InChIKey
YOKOHGJVFKFJBL-UHFFFAOYSA-NSynonyms
1005601-66-0(O)(N+)(=O)c1nn(cc1Br)Cc1cccc(c1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1
1005601660
2(3((4BROMO3NITRO1HPYRAZOL1YL)METHYL)PHENYL)7PHENYL7HPYRAZOLO(43E)(124)TRIAZOLO(15C)PYRIMIDINE
C1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)C5=CC(=CC=C5)CN6C=C(C(=N6)(N+)(=O)(O))Br
InChI=1SC22H14BrN9O2c23181229(2822(18)32(33)34)111454615(914)19262117102531(167213816)20(17)241330(21)2719h1101213H11H2
MFCD04133753
ZINC000002800265
ZINC2800265
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