Vitas-M small molecule compound

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

Catalog ID
STK813751
SMILES COc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl)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 C27H19Cl2N3O2S2 MW 552.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Cl2N3O2S2/c1-34-23-12-11-17(13-22(23)29)25-19(16-32(30-25)20-8-3-2-4-9-20)14-24-26(33)31(27(35)36-24)15-18-7-5-6-10-21(18)28/h2-14,16H,15H2,1H3/b24-14-
InChIKey
KEPGYQYCAVMLLS-OYKKKHCWSA-N
Synonyms

(5Z)3(2chlorobenzyl)5((3(3chloro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((2CHLOROPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(3CHLORO4METHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3(2CHLOROBENZYL)2THIOXOTHIAZOLIDIN4ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl)C5=CC=CC=C5)Cl
COc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1Cl)c1ccccc1
InChI=1SC27H19Cl2N3O2S2c13423121117(1322(23)29)2519(1632(3025)208324920)142426(33)31(27(35)3624)15187561021(18)28h21416H15H21H3b2414
MFCD04441750
ZINC000002533278
ZINC2533278

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Available files

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