Vitas-M small molecule compound
4-[3-(dimethylamino)propyl]-5-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306738
SMILES CN(CCCn1c(S)nnc1c1ccc(cc1)Cn1ncc(c1)[N+](=O)[O-])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 C17H21N7O2S MW 387.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N7O2S/c1-21(2)8-3-9-23-16(19-20-17(23)27)14-6-4-13(5-7-14)11-22-12-15(10-18-22)24(25)26/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,27)InChIKey
KJLDQWCHZQXHTO-UHFFFAOYSA-NSynonyms
1005648-99-61005648996
4(3(DIMETHYLAMINO)PROPYL)3(4((4NITROPYRAZOL1YL)METHYL)PHENYL)1H124TRIAZOLE5THIONE
4(3(dimethylamino)propyl)5(4((4nitro1Hpyrazol1yl)methyl)phenyl)4H124triazole3thiol
CN(C)CCCN1C(=NNC1=S)C2=CC=C(C=C2)CN3C=C(C=N3)(N+)(=O)(O)
CN(CCCn1c(S)nnc1c1ccc(cc1)Cn1ncc(c1)(N+)(=O)(O))C
InChI=1SC17H21N7O2Sc121(2)8392316(192017(23)27)146413(5714)11221215(101822)24(25)26h471012H38911H212H3(H2027)
MFCD04056461
ZINC000008485113
ZINC8485113
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