Vitas-M small molecule compound
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK649036
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nnc(n1c1ccccc1)c1ccccc1
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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 C25H21N3O3S MW 443.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O3S/c1-30-20-13-17-14-22(23(29)19(17)15-21(20)31-2)32-25-27-26-24(16-9-5-3-6-10-16)28(25)18-11-7-4-8-12-18/h3-13,15,22H,14H2,1-2H3InChIKey
GPSMWYOBDRREOM-UHFFFAOYSA-NSynonyms
1144434-94-51144434945
2((45diphenyl124triazol3yl)sulfanyl)56dimethoxy23dihydroinden1one
2((45diphenyl4H124triazol3yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((45diphenyl4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)OC
InChI=1SC25H21N3O3Sc1302013171422(23(29)19(17)1521(20)312)3225272624(1695361016)28(25)18117481218h3131522H14H212H3
MFCD12215474
ZINC000032095892
ZINC000032095894
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