Vitas-M small molecule compound
5,6-dimethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2,3-dihydro-1H-inden-1-one
Catalog ID
STK656347
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1n[nH]c(n1)C
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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/c1-7-15-14(17-16-7)21-12-5-8-4-10(19-2)11(20-3)6-9(8)13(12)18/h4,6,12H,5H2,1-3H3,(H,15,16,17)InChIKey
BAKYMZNBHPRUDI-UHFFFAOYSA-NSynonyms
1040690-63-81040690638
56dimethoxy2((5methyl1H124triazol3yl)sulfanyl)23dihydro1Hinden1one
56dimethoxy2((5methyl1H124triazol3yl)sulfanyl)23dihydroinden1one
56dimethoxy2((5methyl4H124triazol3yl)thio)23dihydro1Hinden1one
CC1=NC(=NN1)SC2CC3=CC(=C(C=C3C2=O)OC)OC
COc1cc2c(cc1OC)CC(C2=O)Sc1n(nH)c(n1)C
COc1cc2c(cc1OC)CC(C2=O)Sc1nnc((nH)1)C
InChI=1SC14H15N3O3Sc171514(17167)211258410(192)11(203)69(8)13(12)18h4612H5H213H3(H151617)
MFCD18167659
ZINC000031810705
ZINC000031810709
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