Vitas-M small molecule compound

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

Catalog ID
STK444040
SMILES CCCn1c(nnc1C1CC1)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 C12H16N6O2S MW 308.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N6O2S/c1-2-5-17-11(9-3-4-9)14-15-12(17)21-8-16-7-10(6-13-16)18(19)20/h6-7,9H,2-5,8H2,1H3
InChIKey
FWRBZUBBNDDUSL-UHFFFAOYSA-N
Synonyms

3cyclopropyl5(((4nitro1Hpyrazol1yl)methyl)sulfanyl)4propyl4H124triazole
3cyclopropyl5((4nitropyrazol1yl)methylsulfanyl)4propyl124triazole
5CYCLOPROPYL3((4NITROPYRAZOLYL)METHYLTHIO)4PROPYL124TRIAZOLE
CCCN1C(=NN=C1SCN2C=C(C=N2)(N+)(=O)(O))C3CC3
CCCn1c(nnc1C1CC1)SCn1ncc(c1)(N+)(=O)(O)
InChI=1SC12H16N6O2Sc1251711(9349)141512(17)21816710(61316)18(19)20h679H258H21H3
MFCD04055235
ZINC000006400408
ZINC06400408
ZINC6400408

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Available files

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