Vitas-M small molecule compound
5,6-dimethoxy-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2,3-dihydro-1H-inden-1-one
Catalog ID
STK648080
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nncn1C
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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 C14H15N3O3S MW 305.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O3S/c1-17-7-15-16-14(17)21-12-5-8-4-10(19-2)11(20-3)6-9(8)13(12)18/h4,6-7,12H,5H2,1-3H3InChIKey
QHVQXVVFLDZZOU-UHFFFAOYSA-NSynonyms
1144471-36-21144471362
56dimethoxy2((4methyl124triazol3yl)sulfanyl)23dihydroinden1one
56dimethoxy2((4methyl4H124triazol3yl)sulfanyl)23dihydro1Hinden1one
56dimethoxy2((4methyl4H124triazol3yl)thio)23dihydro1Hinden1one
CN1C=NN=C1SC2CC3=CC(=C(C=C3C2=O)OC)OC
InChI=1SC14H15N3O3Sc1177151614(17)211258410(192)11(203)69(8)13(12)18h46712H5H213H3
MFCD12218295
ZINC000032105477
ZINC000032105480
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