Vitas-M small molecule compound

(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STL042900
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C

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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 C34H34N2O7S MW 614.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O7S/c1-5-7-12-41-23-10-8-21(17-25(23)40-6-2)30-28(31(37)22-9-11-24-26(18-22)43-14-13-42-24)32(38)33(39)36(30)34-35-29-20(4)15-19(3)16-27(29)44-34/h8-11,15-18,30,37H,5-7,12-14H2,1-4H3/b31-28+
InChIKey
XYCLMLKJOOZHBT-CCFHIKDMSA-N
Synonyms

(4E)5(4butoxy3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC34H34N2O7Sc15712412310821(1725(23)4062)3028(31(37)229112426(1822)4314134224)32(38)33(39)36(30)34352920(4)1519(3)1627(29)4434h81115183037H571214H214H3b3128+
MFCD05738424
ZINC000102872239
ZINC000102872242

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Available files

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