Vitas-M small molecule compound
2-{4-[(5-methyl-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
STL390577
SMILES [O-][N+](=O)c1nn(c(c1)C)Cc1ccc(cc1)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 C23H17N9O2 MW 451.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N9O2/c1-15-11-20(32(33)34)27-29(15)13-16-7-9-17(10-8-16)21-26-23-19-12-25-31(18-5-3-2-4-6-18)22(19)24-14-30(23)28-21/h2-12,14H,13H2,1H3InChIKey
GPLWCDXNQRDOFF-UHFFFAOYSA-NSynonyms
1005617-26-4(O)(N+)(=O)c1nn(c(c1)C)Cc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1
1005617264
2(4((5methyl3nitro1Hpyrazol1yl)methyl)phenyl)7phenyl7Hpyrazolo(43e)(124)triazolo(15c)pyrimidine
CC1=CC(=NN1CC2=CC=C(C=C2)C3=NN4C=NC5=C(C4=N3)C=NN5C6=CC=CC=C6)(N+)(=O)(O)
InChI=1SC23H17N9O2c1151120(32(33)34)2729(15)13167917(10816)21262319122531(185324618)22(19)241430(23)2821h21214H13H21H3
MFCD04135284
ZINC000002804687
ZINC02804687
ZINC2804687
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