Vitas-M small molecule compound
(5Z)-3-benzyl-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702666
SMILES CC(CCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1)C
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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 C31H29N3O2S2 MW 539.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2S2/c1-22(2)17-18-36-27-15-13-24(14-16-27)29-25(21-34(32-29)26-11-7-4-8-12-26)19-28-30(35)33(31(37)38-28)20-23-9-5-3-6-10-23/h3-16,19,21-22H,17-18,20H2,1-2H3/b28-19-InChIKey
BFYIEODGSIWVFM-USHMODERSA-NSynonyms
(5Z)3benzyl5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5
CC(CCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1)C
InChI=1SC31H29N3O2S2c122(2)17183627151324(141627)2925(2134(3229)26117481226)192830(35)33(31(37)3828)202395361023h316192122H171820H212H3b2819
MFCD02991027
ZINC000100774236
ZINC100774236
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