Vitas-M small molecule compound
6,7-dimethoxy-2-[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1H-isoindol-1-one
Catalog ID
STL175084
SMILES COc1c(OC)ccc2c1C(=O)N(C2)c1n[nH]c(n1)SC
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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 C13H14N4O3S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S/c1-19-8-5-4-7-6-17(11(18)9(7)10(8)20-2)12-14-13(21-3)16-15-12/h4-5H,6H2,1-3H3,(H,14,15,16)InChIKey
SYWUIPZYAFOSAW-UHFFFAOYSA-NSynonyms
938020-86-11HISOINDOL1ONE23DIHYDRO67DIMETHOXY2(5(METHYLTHIO)1H124TRIAZOL3YL)
67dimethoxy2(3methylsulfanyl1H124triazol5yl)3Hisoindol1one
67dimethoxy2(5(methylsulfanyl)1H124triazol3yl)23dihydro1Hisoindol1one
67DIMETHOXY2(5(METHYLTHIO)1H124TRIAZOL3YL)ISOINDOLIN1ONE
67DIMETHOXY2(5METHYLTHIO(1H124TRIAZOL3YL))ISOINDOLIN1ONE
938020861
COC1=C(C2=C(CN(C2=O)C3=NC(=NN3)SC)C=C1)OC
COc1c(OC)ccc2c1C(=O)N(C2)c1n(nH)c(n1)SC
InChI=1SC13H14N4O3Sc1198547617(11(18)9(7)10(8)202)121413(213)161512h45H6H213H3(H141516)
MFCD08557352
ZINC000020606532
ZINC20606532
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