Vitas-M small molecule compound
methyl 4-{(3E)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK602859
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccccc2)\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 C23H21NO7S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO7S/c1-31-23(28)16-9-7-14(8-10-16)19-18(20(25)15-5-3-2-4-6-15)21(26)22(27)24(19)17-11-12-32(29,30)13-17/h2-10,17,19,25H,11-13H2,1H3/b20-18+InChIKey
HUUWHALUTPIIJL-CZIZESTLSA-NSynonyms
898499-25-7898499257
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2C4CCS(=O)(=O)C4
COC(=O)c1ccc(cc1)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1C1CCS(=O)(=O)C1
InChI=1SC23H21NO7Sc13123(28)169714(81016)1918(20(25)155324615)21(26)22(27)24(19)17111232(2930)1317h210171925H1113H21H3b2018+
methyl4((3E)1(11dioxidotetrahydrothiophen3yl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin2yl)benzoate
methyl4((3E)1(11dioxothiolan3yl)3(hydroxy(phenyl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD08736644
ZINC000102694633
ZINC000102702070
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