Vitas-M small molecule compound
2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,4-benzoxadiazepin-5-ol
Catalog ID
STK522280
SMILES Cn1cnnc1SCC1=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 C12H11N5O2S MW 289.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O2S/c1-17-7-13-16-12(17)20-6-10-14-15-11(18)8-4-2-3-5-9(8)19-10/h2-5,7H,6H2,1H3,(H,15,18)InChIKey
MBFHSMGLXKJCOL-UHFFFAOYSA-NSynonyms
2(((4methyl4H124triazol3yl)sulfanyl)methyl)134benzoxadiazepin5ol
2((4methyl124triazol3yl)sulfanylmethyl)4H134benzoxadiazepin5one
CN1C=NN=C1SCC2=NNC(=O)C3=CC=CC=C3O2
InChI=1SC12H11N5O2Sc1177131612(17)20610141511(18)842359(8)1910h257H6H21H3(H1518)
MFCD09063974
ZINC000010489870
ZINC10489870
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