Vitas-M small molecule compound
methyl 4-{(3E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK608187
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2cccs2)\O)/C(=O)C(=O)N1C1CCS(=O)(=O)C1
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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 C21H19NO7S2 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO7S2/c1-29-21(26)13-6-4-12(5-7-13)17-16(18(23)15-3-2-9-30-15)19(24)20(25)22(17)14-8-10-31(27,28)11-14/h2-7,9,14,17,23H,8,10-11H2,1H3/b18-16+InChIKey
PUAHSSGMDPQGAD-FBMGVBCBSA-NSynonyms
COC(=O)c1ccc(cc1)C1C(=C(c2cccs2)O)C(=O)C(=O)N1C1CCS(=O)(=O)C1
methyl4((3E)1(11dioxidotetrahydrothiophen3yl)3(hydroxy(thiophen2yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD08731641
ZINC000102704245
ZINC000102706457
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