Vitas-M small molecule compound
(4E)-5-[3-(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
STL054962
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)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/c1-40-23-11-12-25-28(18-23)44-34(35-25)36-30(21-8-5-9-24(16-21)43-19-20-6-3-2-4-7-20)29(32(38)33(36)39)31(37)22-10-13-26-27(17-22)42-15-14-41-26/h2-13,16-18,30,37H,14-15,19H2,1H3/b31-29+InChIKey
VNCGHDCBSOLKHM-OWWNRXNESA-NSynonyms
618857-17-3(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6METHOXY13BENZOTHIAZOL2YL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
618857173
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OCC7=CC=CC=C7
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCc1ccccc1
InChI=1SC34H26N2O7Sc1402311122528(1823)4434(3525)3630(2185924(1621)4319206324720)29(32(38)33(36)39)31(37)2210132627(1722)4215144126h21316183037H141519H21H3b3129+
MFCD05732713
ZINC000102892871
ZINC000102892874
Check stock
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Check stock on Vitas-MAvailable files
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