Vitas-M small molecule compound
(5Z)-3-hexyl-5-({3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880873
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)/C1=O
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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 C30H35N3O2S2 MW 533.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2S2/c1-5-6-7-11-17-32-29(34)27(37-30(32)36)18-23-19-33(24-13-9-8-10-14-24)31-28(23)25-15-12-16-26(22(25)4)35-20-21(2)3/h8-10,12-16,18-19,21H,5-7,11,17,20H2,1-4H3/b27-18-InChIKey
QGJXDQZGMIGYGP-IMRQLAEWSA-NSynonyms
(5Z)3hexyl5((3(2methyl3(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3(2methyl3(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3HEXYL5((3(3ISOBUTOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C(=CC=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC30H35N3O2S2c156711173229(34)27(3730(32)36)18231933(241398101424)3128(23)2515121626(22(25)4)352021(2)3h8101216181921H57111720H214H3b2718
MFCD04441414
ZINC000016729863
ZINC16729863
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