Vitas-M small molecule compound

(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STL053570
SMILES CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-4-37-23-14-17(6-9-21(23)33)26-25(27(34)18-7-10-22-19(13-18)12-16(3)38-22)28(35)29(36)32(26)30-31-20-8-5-15(2)11-24(20)39-30/h5-11,13-14,16,26,33-34H,4,12H2,1-3H3/b27-25+
InChIKey
KNSZFCXTNBZHRW-IMVLJIQESA-N
Synonyms
877802-02-3
(4E)5(3ethoxy4hydroxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
877802023
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C)O
CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC30H26N2O6Sc1437231417(6921(23)33)2625(27(34)187102219(1318)1216(3)3822)28(35)29(36)32(26)3031208515(2)1124(20)3930h511131416263334H412H213H3b2725+
MFCD05725585
ZINC000102891639
ZINC000102891648

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Available files

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