Vitas-M small molecule compound

2-({[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}methyl)-1,3,4-benzoxadiazepin-5-ol

Catalog ID
STK273829
SMILES CSc1nsc(n1)SCC1=NN=C(c2c(O1)cccc2)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 C12H10N4O2S3 MW 338.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N4O2S3/c1-19-11-13-12(21-16-11)20-6-9-14-15-10(17)7-4-2-3-5-8(7)18-9/h2-5H,6H2,1H3,(H,15,17)
InChIKey
LYHQLPGCWAFBGC-UHFFFAOYSA-N
Synonyms

2(((3(methylsulfanyl)124thiadiazol5yl)sulfanyl)methyl)134benzoxadiazepin5ol
2((3methylsulfanyl124thiadiazol5yl)sulfanylmethyl)4H134benzoxadiazepin5one
CSC1=NSC(=N1)SCC2=NNC(=O)C3=CC=CC=C3O2
InChI=1SC12H10N4O2S3c119111312(211611)2069141510(17)742358(7)189h25H6H21H3(H1517)
MFCD08706573
ZINC000010494775
ZINC10494775

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Available files

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