Vitas-M small molecule compound
8-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
Catalog ID
STL352278
SMILES COc1ccc(cc1)c1coc2c(c1=O)ccc(c2CN1CCN(CC1)C1CCS(=O)(=O)C1)O
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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 C25H28N2O6S MW 484.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6S/c1-32-19-4-2-17(3-5-19)22-15-33-25-20(24(22)29)6-7-23(28)21(25)14-26-9-11-27(12-10-26)18-8-13-34(30,31)16-18/h2-7,15,18,28H,8-14,16H2,1H3InChIKey
SKZORKTZFMTBQC-UHFFFAOYSA-NSynonyms
8((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)7hydroxy3(4methoxyphenyl)4Hchromen4one
8((4(11dioxothiolan3yl)piperazin1yl)methyl)7hydroxy3(4methoxyphenyl)chromen4one
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3CN4CCN(CC4)C5CCS(=O)(=O)C5)O
InChI=1SC25H28N2O6Sc132194217(3519)2215332520(24(22)29)6723(28)21(25)142691127(121026)1881334(3031)1618h27151828H81416H21H3
MFCD23140020
ZINC000095471363
ZINC000095471364
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