Vitas-M small molecule compound
(5E)-5-{[1-(4-chlorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK435843
SMILES COc1ccc(cc1)c1nn(cc1/C=C\1/SC(=S)NC1=O)Cc1ccc(cc1)Cl
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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 C21H16ClN3O2S2 MW 441.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O2S2/c1-27-17-8-4-14(5-9-17)19-15(10-18-20(26)23-21(28)29-18)12-25(24-19)11-13-2-6-16(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,26,28)/b18-10+InChIKey
XFSTVGVXRSCETM-VCHYOVAHSA-NSynonyms
(5E)5((1((4chlorophenyl)methyl)3(4methoxyphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(5E)5((1(4chlorobenzyl)3(4methoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
5((1((4CHLOROPHENYL)METHYL)3(4METHOXYPHENYL)PYRAZOL4YL)METHYLENE)2THIOXO13THIAZOLIDIN4ONE
COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CC4=CC=C(C=C4)Cl
COc1ccc(cc1)c1nn(cc1C=C1SC(=S)NC1=O)Cc1ccc(cc1)Cl
InChI=1SC21H16ClN3O2S2c127178414(5917)1915(101820(26)2321(28)2918)1225(2419)11132616(22)7313h21012H11H21H3(H232628)b1810+
MFCD03944110
ZINC000019635131
ZINC19635131
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