Vitas-M small molecule compound
(5Z)-3-benzyl-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799013
SMILES CCCCCCOc1ccc(cc1)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 C32H31N3O2S2 MW 553.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O2S2/c1-2-3-4-11-20-37-28-18-16-25(17-19-28)30-26(23-35(33-30)27-14-9-6-10-15-27)21-29-31(36)34(32(38)39-29)22-24-12-7-5-8-13-24/h5-10,12-19,21,23H,2-4,11,20,22H2,1H3/b29-21-InChIKey
UWVWAFQCALVYFU-ANYBSYGZSA-NSynonyms
(5Z)3benzyl5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BENZYL5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)Cc1ccccc1)c1ccccc1
InChI=1SC32H31N3O2S2c123411203728181625(171928)3026(2335(3330)271496101527)212931(36)34(32(38)3929)2224127581324h51012192123H24112022H21H3b2921
MFCD03462199
ZINC000097946225
ZINC97946225
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