Vitas-M small molecule compound
3-{2-[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]-2-oxoethyl}-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL243443
SMILES O=C(N1CCN(CC1)C1CCS(=O)(=O)C1)Cc1c(=O)oc2c(c1C)ccc(c2C)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 C21H26N2O6S MW 434.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O6S/c1-13-16-3-4-18(24)14(2)20(16)29-21(26)17(13)11-19(25)23-8-6-22(7-9-23)15-5-10-30(27,28)12-15/h3-4,15,24H,5-12H2,1-2H3InChIKey
YTZJSKWYRAJGGA-UHFFFAOYSA-NSynonyms
1401573-85-01401573850
3(2(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)2oxoethyl)7hydroxy48dimethyl2Hchromen2one
3(2(4(11dioxothiolan3yl)piperazin1yl)2oxoethyl)7hydroxy48dimethylchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)N3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC21H26N2O6Sc113163418(24)14(2)20(16)2921(26)17(13)1119(25)238622(7923)1551030(2728)1215h341524H512H212H3
MFCD22585899
ZINC000079495298
ZINC000079495299
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