Vitas-M small molecule compound

(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione

Catalog ID
STK155466
SMILES CCOc1cc2OCOc2cc1/C=C\1/SC(=O)N(C1=O)CC(=O)N1CCN(CC1)c1ccccc1

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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 C25H25N3O6S MW 495.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6S/c1-2-32-19-14-21-20(33-16-34-21)12-17(19)13-22-24(30)28(25(31)35-22)15-23(29)27-10-8-26(9-11-27)18-6-4-3-5-7-18/h3-7,12-14H,2,8-11,15-16H2,1H3/b22-13+
InChIKey
UPFNXZHLVNVNCJ-LPYMAVHISA-N
Synonyms

(5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)3(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)13THIAZOLIDINE24DIONE
CCOC1=CC2=C(C=C1C=C3C(=O)N(C(=O)S3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)OCO2
CCOc1cc2OCOc2cc1C=C1SC(=O)N(C1=O)CC(=O)N1CCN(CC1)c1ccccc1
InChI=1SC25H25N3O6Sc123219142120(33163421)1217(19)132224(30)28(25(31)3522)1523(29)2710826(91127)186435718h371214H28111516H21H3b2213+
MFCD03699363
ZINC000008450527
ZINC08450527
ZINC8450527

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Available files

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