Vitas-M small molecule compound

(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK814598
SMILES CCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccc(cc1)C)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 C29H25N3O2S2 MW 511.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O2S2/c1-3-34-25-15-13-22(14-16-25)27-23(19-32(30-27)24-7-5-4-6-8-24)17-26-28(33)31(29(35)36-26)18-21-11-9-20(2)10-12-21/h4-17,19H,3,18H2,1-2H3/b26-17-
InChIKey
HHIKMNRVJKWJBM-ONUIUJJFSA-N
Synonyms

(5Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(4methylbenzyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3(4methylbenzyl)2thioxothiazolidin4one
5((3(4ETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(4METHYLBENZYL)2THIOXOTHIAZOLIDIN4ONE
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5
CCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)c1ccccc1
InChI=1SC29H25N3O2S2c133425151322(141625)2723(1932(3027)247546824)172628(33)31(29(35)3626)182111920(2)101221h41719H318H212H3b2617
MFCD03664901
ZINC000002370509
ZINC02370509
ZINC2370509

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Available files

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