Vitas-M small molecule compound

2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

Catalog ID
STK649419
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 C25H27N3O3S MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3S/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/h3,5-6,9-10,13,15,18,22H,4,7-8,11-12,14H2,1-2H3
InChIKey
YGIXLGAFUMJIGE-UHFFFAOYSA-N
Synonyms
1144460-19-4
1144460194
2((4cyclohexyl5phenyl124triazol3yl)sulfanyl)56dimethoxy23dihydroinden1one
2((4cyclohexyl5phenyl4H124triazol3yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((4cyclohexyl5phenyl4H124triazol3yl)thio)56dimethoxy23dihydro1Hinden1one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NN=C(N3C4CCCCC4)C5=CC=CC=C5)OC
InChI=1SC25H27N3O3Sc1302013171422(23(29)19(17)1521(20)312)3225272624(1695361016)28(25)18117481218h35691013151822H478111214H212H3
MFCD12216538
ZINC000032101320
ZINC000032101324

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Available files

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