Vitas-M small molecule compound
(5Z)-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(2-methoxyethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799022
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCOC)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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-3-4-5-9-17-34-24-14-12-21(13-15-24)26-22(20-31(29-26)23-10-7-6-8-11-23)19-25-27(32)30(16-18-33-2)28(35)36-25/h6-8,10-15,19-20H,3-5,9,16-18H2,1-2H3/b25-19-InChIKey
WBEBCKBFBDZWID-PLRJNAJWSA-NSynonyms
955899-80-6(5Z)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methoxyethyl)2thioxo13thiazolidin4one
(5Z)5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHOXYETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)3(2methoxyethyl)2thioxothiazolidin4one
955899806
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCOC)C4=CC=CC=C4
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCOC)c1ccccc1
InChI=1SC28H31N3O3S2c13459173424141221(131524)2622(2031(2926)23107681123)192527(32)30(1618332)28(35)3625h6810151920H3591618H212H3b2519
MFCD03462210
ZINC000013647848
ZINC13647848
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