Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-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
STL048594
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)OC)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 C35H28N2O8S MW 636.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O8S/c1-41-23-10-11-24-29(18-23)46-35(36-24)37-31(21-8-12-25(27(16-21)42-2)45-19-20-6-4-3-5-7-20)30(33(39)34(37)40)32(38)22-9-13-26-28(17-22)44-15-14-43-26/h3-13,16-18,31,38H,14-15,19H2,1-2H3/b32-30+InChIKey
YFJTYLYNZIFHPX-NHQGMKOOSA-NSynonyms
618857-08-2(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6METHOXY13BENZOTHIAZOL2YL)5(3METHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
618857082
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)OC
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(c(c1)OC)OCc1ccccc1
InChI=1SC35H28N2O8Sc1412310112429(1823)4635(3624)3731(2181225(27(1621)422)4519206435720)30(33(39)34(37)40)32(38)229132628(1722)4415144326h31316183138H141519H212H3b3230+
MFCD07205101
ZINC000150455055
ZINC000150455057
Check stock
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Check stock on Vitas-MAvailable files
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