Vitas-M small molecule compound

3-tert-butyl-7-(methylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

Catalog ID
STK679702
SMILES CSc1nn2c(s1)nnc(c2=O)C(C)(C)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 C9H12N4OS2 MW 256.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N4OS2/c1-9(2,3)5-6(14)13-7(11-10-5)16-8(12-13)15-4/h1-4H3
InChIKey
DTIOMVIQLDWCOB-UHFFFAOYSA-N
Synonyms

(134)THIADIAZOLO(23C)(124)TRIAZIN4ONE3TERTBUTYL7METHYLSULFANYL
3(TERTBUTYL)7METHYLTHIO134THIADIAZOLINO(23C)124TRIAZIN4ONE
3tertbutyl7(methylsulfanyl)4H(134)thiadiazolo(23c)(124)triazin4one
3TERTBUTYL7METHYLSULFANYL(134)THIADIAZOLO(23C)(124)TRIAZIN4ONE
CC(C)(C)C1=NN=C2N(C1=O)N=C(S2)SC
InChI=1SC9H12N4OS2c19(23)56(14)137(11105)168(1213)154h14H3
MFCD03460719
ZINC000000095164
ZINC00095164
ZINC95164

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.