Vitas-M small molecule compound

4-[(5E)-5-{2-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STL071405
SMILES OC(=O)CCCN1C(=S)S/C(=C/c2ccccc2OCc2ccc(cc2)C)/C1=O

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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 C22H21NO4S2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S2/c1-15-8-10-16(11-9-15)14-27-18-6-3-2-5-17(18)13-19-21(26)23(22(28)29-19)12-4-7-20(24)25/h2-3,5-6,8-11,13H,4,7,12,14H2,1H3,(H,24,25)/b19-13+
InChIKey
POGWOOCABJPIAY-CPNJWEJPSA-N
Synonyms

4((5E)5((2((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4((5E)5(2((4methylbenzyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
CC1=CC=C(C=C1)COC2=CC=CC=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O
InChI=1SC22H21NO4S2c11581016(11915)142718632517(18)131921(26)23(22(28)2919)124720(24)25h235681113H471214H21H3(H2425)b1913+
MFCD05151361
OC(=O)CCCN1C(=S)SC(=Cc2ccccc2OCc2ccc(cc2)C)C1=O
ZINC000032694337
ZINC32694337

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Available files

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