Vitas-M small molecule compound

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

Catalog ID
STK302417
SMILES [O-][N+](=O)c1c(C)nn(c1C)CCc1nnc(n1Cc1ccccc1)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 C16H18N6O2S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N6O2S/c1-11-15(22(23)24)12(2)21(19-11)9-8-14-17-18-16(25)20(14)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,25)
InChIKey
OMSNSKWKSRBRAT-UHFFFAOYSA-N
Synonyms
512824-32-7
(O)(N+)(=O)c1c(C)nn(c1C)CCc1nnc(n1Cc1ccccc1)S
4BENZYL3(2(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)1H124TRIAZOLE5THIONE
4BENZYL3(2(4NITRO35DIMETHYL1HPYRAZOL1YL)ETHYL)5SULFANYL4H124TRIAZOLE
4benzyl5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4H124triazole3thiol
512824327
CC1=C(C(=NN1CCC2=NNC(=S)N2CC3=CC=CC=C3)C)(N+)(=O)(O)
InChI=1SC16H18N6O2Sc11115(22(23)24)12(2)21(1911)9814171816(25)20(14)10136435713h37H810H212H3(H1825)
MFCD03468515
ZINC000005433625
ZINC5433625

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Available files

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