Vitas-M small molecule compound

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

Catalog ID
STK567772
SMILES CCCCCOc1ccc(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 C35H36N2O7S MW 628.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O7S/c1-5-7-8-13-42-24-11-9-22(18-26(24)41-6-2)31-29(32(38)23-10-12-25-27(19-23)44-15-14-43-25)33(39)34(40)37(31)35-36-30-21(4)16-20(3)17-28(30)45-35/h9-12,16-19,31,38H,5-8,13-15H2,1-4H3/b32-29+
InChIKey
DTLSHFFNFQUIQQ-UUDCSCGESA-N
Synonyms
618859-36-2
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3ethoxy4(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(46DIMETHYL13BENZOTHIAZOL2YL)5(3ETHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
618859362
CCCCCOC1=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
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC35H36N2O7Sc157813422411922(1826(24)4162)3129(32(38)2310122527(1923)4415144325)33(39)34(40)37(31)35363021(4)1620(3)1728(30)4535h91216193138H581315H214H3b3229+
MFCD05727830
ZINC000102651993
ZINC000102651995

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Available files

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