Vitas-M small molecule compound
5-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307430
SMILES [O-][N+](=O)c1c(C)nn(c1C)Cc1ccc(cc1)c1nnc(n1CCc1ccccc1)S
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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 C22H22N6O2S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S/c1-15-20(28(29)30)16(2)27(25-15)14-18-8-10-19(11-9-18)21-23-24-22(31)26(21)13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,24,31)InChIKey
YNERATCDTOUFOF-UHFFFAOYSA-NSynonyms
1005591-88-7(O)(N+)(=O)c1c(C)nn(c1C)Cc1ccc(cc1)c1nnc(n1CCc1ccccc1)S
1005591887
3(4((35dimethyl4nitropyrazol1yl)methyl)phenyl)4(2phenylethyl)1H124triazole5thione
3(4((35DIMETHYL4NITROPYRAZOL1YL)METHYL)PHENYL)4PHENETHYL1H124TRIAZOLE5THIONE
5(4((35dimethyl4nitro1Hpyrazol1yl)methyl)phenyl)4(2phenylethyl)4H124triazole3thiol
CC1=C(C(=NN1CC2=CC=C(C=C2)C3=NNC(=S)N3CCC4=CC=CC=C4)C)(N+)(=O)(O)
InChI=1SC22H22N6O2Sc11520(28(29)30)16(2)27(2515)141881019(11918)21232422(31)26(21)1312176435717h311H1214H212H3(H2431)
MFCD04056713
ZINC000002793631
ZINC02793631
ZINC2793631
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