Vitas-M small molecule compound
(5Z)-3-benzyl-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816164
SMILES CCCOc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)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 C29H24ClN3O2S2 MW 546.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3O2S2/c1-2-15-35-25-14-13-21(16-24(25)30)27-22(19-33(31-27)23-11-7-4-8-12-23)17-26-28(34)32(29(36)37-26)18-20-9-5-3-6-10-20/h3-14,16-17,19H,2,15,18H2,1H3/b26-17-InChIKey
XHHZIVBFCJMAQG-ONUIUJJFSA-NSynonyms
(5Z)3benzyl5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5)Cl
CCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC29H24ClN3O2S2c12153525141321(1624(25)30)2722(1933(3127)23117481223)172628(34)32(29(36)3726)182095361020h314161719H21518H21H3b2617
MFCD06315028
ZINC000097946561
ZINC97946561
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