Vitas-M small molecule compound

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

Catalog ID
STL049025
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)OCc1ccccc1

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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 C34H26N2O7S MW 606.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N2O7S/c1-40-24-12-13-25-28(18-24)44-34(35-25)36-30(21-7-10-23(11-8-21)43-19-20-5-3-2-4-6-20)29(32(38)33(36)39)31(37)22-9-14-26-27(17-22)42-16-15-41-26/h2-14,17-18,30,37H,15-16,19H2,1H3/b31-29+
InChIKey
HTWZZAUQHVPKSQ-OWWNRXNESA-N
Synonyms
618857-05-9
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6METHOXY13BENZOTHIAZOL2YL)5(4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
618857059
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)OCC7=CC=CC=C7
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)OCc1ccccc1
InChI=1SC34H26N2O7Sc1402412132528(1824)4434(3525)3630(2171023(11821)4319205324620)29(32(38)33(36)39)31(37)229142627(1722)4216154126h21417183037H151619H21H3b3129+
MFCD07212798
ZINC000102887079
ZINC000102887081

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Available files

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