Vitas-M small molecule compound
8-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-7-hydroxy-3,4-dimethyl-2H-chromen-2-one
Catalog ID
STL315725
SMILES Oc1ccc2c(c1CN1CCN(CC1)C1CCS(=O)(=O)C1)oc(=O)c(c2C)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 C20H26N2O5S MW 406.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O5S/c1-13-14(2)20(24)27-19-16(13)3-4-18(23)17(19)11-21-6-8-22(9-7-21)15-5-10-28(25,26)12-15/h3-4,15,23H,5-12H2,1-2H3InChIKey
CZJMABSBEOTCNW-UHFFFAOYSA-NSynonyms
8((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)7hydroxy34dimethyl2Hchromen2one
8((4(11dioxothiolan3yl)piperazin1yl)methyl)7hydroxy34dimethylchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)C4CCS(=O)(=O)C4)O)C
InChI=1SC20H26N2O5Sc11314(2)20(24)271916(13)3418(23)17(19)11216822(9721)1551028(2526)1215h341523H512H212H3
MFCD22582363
ZINC000079476742
ZINC000079476746
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