Vitas-M small molecule compound

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

Catalog ID
STK568156
SMILES CCOc1ccc2c(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 C35H28N2O7S MW 620.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O7S/c1-2-41-25-12-13-26-29(19-25)45-35(36-26)37-31(22-9-6-10-24(17-22)44-20-21-7-4-3-5-8-21)30(33(39)34(37)40)32(38)23-11-14-27-28(18-23)43-16-15-42-27/h3-14,17-19,31,38H,2,15-16,20H2,1H3/b32-30+
InChIKey
BNOYMCOFZVUNPY-NHQGMKOOSA-N
Synonyms

(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)pyrrolidine23dione
CCOC1=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
CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)OCc1ccccc1
InChI=1SC35H28N2O7Sc12412512132629(1925)4535(3626)3731(22961024(1722)4420217435821)30(33(39)34(37)40)32(38)2311142728(1823)4316154227h31417193138H2151620H21H3b3230+
MFCD05737348
ZINC000102550928
ZINC000102550936

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Available files

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