Vitas-M small molecule compound

4-methyl-3-(5-methyl-4-phenylthiophen-3-yl)-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole

Catalog ID
STK466757
SMILES Cn1c(nnc1c1csc(c1c1ccccc1)C)SCn1ncc(c1)[N+](=O)[O-]

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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 C18H16N6O2S2 MW 412.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O2S2/c1-12-16(13-6-4-3-5-7-13)15(10-27-12)17-20-21-18(22(17)2)28-11-23-9-14(8-19-23)24(25)26/h3-10H,11H2,1-2H3
InChIKey
PULAONVHUOIESV-UHFFFAOYSA-N
Synonyms

4METHYL3(5METHYL4PHENYL(3THIENYL))5((4NITROPYRAZOLYL)METHYLTHIO)124TRIAZOLE
4methyl3(5methyl4phenylthiophen3yl)5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazole
4methyl3(5methyl4phenylthiophen3yl)5((4nitropyrazol1yl)methylsulfanyl)124triazole
CC1=C(C(=CS1)C2=NN=C(N2C)SCN3C=C(C=N3)(N+)(=O)(O))C4=CC=CC=C4
Cn1c(nnc1c1csc(c1c1ccccc1)C)SCn1ncc(c1)(N+)(=O)(O)
InChI=1SC18H16N6O2S2c11216(136435713)15(102712)17202118(22(17)2)281123914(81923)24(25)26h310H11H212H3
MFCD06119455
ZINC000017089185
ZINC17089185

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Available files

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