Vitas-M small molecule compound
5,6-dimethoxy-2-(4H-1,2,4-triazol-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-one
Catalog ID
STK650709
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnc[nH]1
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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 C13H13N3O3S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S/c1-18-9-3-7-4-11(20-13-14-6-15-16-13)12(17)8(7)5-10(9)19-2/h3,5-6,11H,4H2,1-2H3,(H,14,15,16)InChIKey
YTTOERUDJAIZRZ-UHFFFAOYSA-NSynonyms
1144452-19-61144452196
2((4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
56dimethoxy2(1H124triazol5ylsulfanyl)23dihydroinden1one
56dimethoxy2(4H124triazol3ylsulfanyl)23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC=NN3)OC
COc1cc2c(cc1OC)CC(C2=O)Sc1nnc(nH)1
InChI=1SC13H13N3O3Sc118937411(2013146151613)12(17)8(7)510(9)192h35611H4H212H3(H141516)
MFCD12218652
ZINC000031812307
ZINC000031812314
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