Vitas-M small molecule compound

4-methyl-7-(2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethoxy)-2H-chromen-2-one

Catalog ID
STK267382
SMILES Cc1ccc(cc1)c1nnc(o1)SCCOc1ccc2c(c1)oc(=O)cc2C

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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 C21H18N2O4S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S/c1-13-3-5-15(6-4-13)20-22-23-21(27-20)28-10-9-25-16-7-8-17-14(2)11-19(24)26-18(17)12-16/h3-8,11-12H,9-10H2,1-2H3
InChIKey
MAZBEYAVOZAPOY-UHFFFAOYSA-N
Synonyms

4METHYL7(2((5(4METHYLPHENYL)134OXADIAZOL2YL)SULFANYL)ETHOXY)2HCHROMEN2ONE
4methyl7(2((5(4methylphenyl)134oxadiazol2yl)sulfanyl)ethoxy)chromen2one
CC1=CC=C(C=C1)C2=NN=C(O2)SCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C
InChI=1SC21H18N2O4Sc1133515(6413)20222321(2720)281092516781714(2)1119(24)2618(17)1216h381112H910H212H3
MFCD04226301
ZINC000009583300
ZINC09583300
ZINC9583300

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Available files

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