Vitas-M small molecule compound

5-methyl-3-(2-methylpropyl)-5-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}dihydrofuran-2(3H)-one (non-preferred name)

Catalog ID
STK805121
SMILES CC(CC1CC(OC1=O)(C)C(=O)CSc1nnc([nH]1)c1ccccc1)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 C19H23N3O3S MW 373.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O3S/c1-12(2)9-14-10-19(3,25-17(14)24)15(23)11-26-18-20-16(21-22-18)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,20,21,22)
InChIKey
IHABQKXPKIRSFD-UHFFFAOYSA-N
Synonyms
5835-76-7
3isobutyl5methyl5(2((5phenyl4H124triazol3yl)thio)acetyl)dihydrofuran2(3H)onehydrobromide
5835767
5methyl3(2methylpropyl)5(((5phenyl4H124triazol3yl)sulfanyl)acetyl)dihydrofuran2(3H)one(nonpreferredname)
5METHYL3(2METHYLPROPYL)5(2((5PHENYL1H124TRIAZOL3YL)SULFANYL)ACETYL)OXOLAN2ONE
5METHYL3(2METHYLPROPYL)5(2(5PHENYL(4H124TRIAZOL3YLTHIO))ACETYL)345TRIHYDROFURAN2ONE
CC(C)CC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3
CC(CC1CC(OC1=O)(C)C(=O)CSc1nnc((nH)1)c1ccccc1)C
CC(CC1CC(OC1=O)(C)C(=O)CSc1nnc((nH)1)c1ccccc1)CBr
InChI=1SC19H23N3O3Sc112(2)9141019(32517(14)24)15(23)1126182016(212218)137546813h481214H911H213H3(H202122)
MFCD00371166
ZINC000005444151
ZINC000005444155

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.