Vitas-M small molecule compound
2-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK309376
SMILES [O-][N+](=O)c1nn(cc1Br)Cc1cccc(c1)c1nn2c(n1)c1cnn(c1nc2)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 C17H12BrN9O2 MW 454.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrN9O2/c1-24-15-12(6-20-24)16-21-14(22-26(16)9-19-15)11-4-2-3-10(5-11)7-25-8-13(18)17(23-25)27(28)29/h2-6,8-9H,7H2,1H3InChIKey
RLPDFQJEYWCJJT-UHFFFAOYSA-NSynonyms
1005589-49-0(O)(N+)(=O)c1nn(cc1Br)Cc1cccc(c1)c1nn2c(n1)c1cnn(c1nc2)C
1005589490
2(3((4bromo3nitro1Hpyrazol1yl)methyl)phenyl)7methyl7Hpyrazolo(43e)(124)triazolo(15c)pyrimidine
CN1C2=C(C=N1)C3=NC(=NN3C=N2)C4=CC(=CC=C4)CN5C=C(C(=N5)(N+)(=O)(O))Br
InChI=1SC17H12BrN9O2c1241512(62024)162114(2226(16)91915)1142310(511)725813(18)17(2325)27(28)29h2689H7H21H3
MFCD04133767
ZINC000002800442
ZINC02800442
ZINC2800442
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