Vitas-M small molecule compound

methyl 4-{(3E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[hydroxy(thiophen-2-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate

Catalog ID
STK562291
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2cccs2)\O)/C(=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 C26H20N2O6S2 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O6S2/c1-3-34-16-10-11-17-19(13-16)36-26(27-17)28-21(14-6-8-15(9-7-14)25(32)33-2)20(23(30)24(28)31)22(29)18-5-4-12-35-18/h4-13,21,29H,3H2,1-2H3/b22-20+
InChIKey
DGSMMBFXUXDZHG-LSDHQDQOSA-N
Synonyms

CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)C(=C(c2cccs2)O)C(=O)C1=O
methyl4((3E)1(6ethoxy13benzothiazol2yl)3(hydroxy(thiophen2yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD03800573
ZINC000102511378
ZINC000102511386

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.