Vitas-M small molecule compound

(5Z)-3-benzyl-5-{3-[3-(4-ethylphenoxy)propoxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK018599
SMILES CCc1ccc(cc1)OCCCOc1cccc(c1)/C=C/1\SC(=S)N(C1=O)Cc1ccccc1

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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 C28H27NO3S2 MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO3S2/c1-2-21-12-14-24(15-13-21)31-16-7-17-32-25-11-6-10-23(18-25)19-26-27(30)29(28(33)34-26)20-22-8-4-3-5-9-22/h3-6,8-15,18-19H,2,7,16-17,20H2,1H3/b26-19-
InChIKey
FRBACQIGSKVLIY-XHPQRKPJSA-N
Synonyms

(5Z)3BENZYL5((3(3(4ETHYLPHENOXY)PROPOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(3(3(4ETHYLPHENOXY)PROPOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCC1=CC=C(C=C1)OCCCOC2=CC=CC(=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4
CCc1ccc(cc1)OCCCOc1cccc(c1)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC28H27NO3S2c1221121424(151321)311671732251161023(1825)192627(30)29(28(33)3426)20228435922h368151819H27161720H21H3b2619
MFCD05976641
STK018599
ZINC000008993742
ZINC08993742
ZINC8993742

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.