Vitas-M small molecule compound

4-[3-(diethylamino)propyl]-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306370
SMILES CCN(CCCn1c(nnc1S)CCn1nc(c(c1C)[N+](=O)[O-])C)CC

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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 C16H27N7O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H27N7O2S/c1-5-20(6-2)9-7-10-21-14(17-18-16(21)26)8-11-22-13(4)15(23(24)25)12(3)19-22/h5-11H2,1-4H3,(H,18,26)
InChIKey
IBGPBWSAWJBMON-UHFFFAOYSA-N
Synonyms
1005614-82-3
1005614823
4(3(DIETHYLAMINO)PROPYL)3(2(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)1H124TRIAZOLE5THIONE
4(3(diethylamino)propyl)5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4H124triazole3thiol
CCN(CC)CCCN1C(=NNC1=S)CCN2C(=C(C(=N2)C)(N+)(=O)(O))C
CCN(CCCn1c(nnc1S)CCn1nc(c(c1C)(N+)(=O)(O))C)CC
InChI=1SC16H27N7O2Sc1520(62)97102114(171816(21)26)8112213(4)15(23(24)25)12(3)1922h511H214H3(H1826)
MFCD04056310
ZINC000007263586
ZINC7263586

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Available files

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