Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK816158
SMILES CCCOc1ccc(cc1Cl)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 C30H26ClN3O2S2 MW 560.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O2S2/c1-3-15-36-26-14-13-22(16-25(26)31)28-23(19-34(32-28)24-7-5-4-6-8-24)17-27-29(35)33(30(37)38-27)18-21-11-9-20(2)10-12-21/h4-14,16-17,19H,3,15,18H2,1-2H3/b27-17-InChIKey
WYBYLBAOUIIXNH-PKAZHMFMSA-NSynonyms
(5Z)5((3(3chloro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(4methylbenzyl)2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3((4METHYLPHENYL)METHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)C5=CC=CC=C5)Cl
CCCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccc(cc1)C)c1ccccc1
InChI=1SC30H26ClN3O2S2c13153626141322(1625(26)31)2823(1934(3228)247546824)172729(35)33(30(37)3827)182111920(2)101221h414161719H31518H212H3b2717
MFCD04524767
ZINC000097946650
ZINC97946650
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