Vitas-M small molecule compound
2-{1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL390158
SMILES [O-][N+](=O)c1ncn(n1)Cn1ccc(n1)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 C18H12N12O2 MW 428.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N12O2/c31-30(32)18-20-9-27(25-18)11-26-7-6-14(23-26)15-22-17-13-8-21-29(12-4-2-1-3-5-12)16(13)19-10-28(17)24-15/h1-10H,11H2InChIKey
BQGYCXJEKQHIRO-UHFFFAOYSA-NSynonyms
1005590-78-2(O)(N+)(=O)c1ncn(n1)Cn1ccc(n1)c1nn2c(n1)c1cnn(c1nc2)c1ccccc1
1005590782
2(1((3nitro1H124triazol1yl)methyl)1Hpyrazol3yl)7phenyl7Hpyrazolo(43e)(124)triazolo(15c)pyrimidine
C1=CC=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)C5=NN(C=C5)CN6C=NC(=N6)(N+)(=O)(O)
InChI=1SC18H12N12O2c3130(32)1820927(2518)11267614(2326)1522171382129(124213512)16(13)191028(17)2415h110H11H2
MFCD04134318
ZINC000002803527
ZINC02803527
ZINC2803527
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