Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702597
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)/C1=O)CC
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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/c1-5-7-11-22(6-2)19-32-29(34)27(37-30(32)36)18-24-20-33(25-12-9-8-10-13-25)31-28(24)23-14-16-26(17-15-23)35-21(3)4/h8-10,12-18,20-22H,5-7,11,19H2,1-4H3/b27-18-InChIKey
LRKHITZLGVHXKU-IMRQLAEWSA-NSynonyms
(5Z)3(2ethylhexyl)5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ETHYLHEXYL)5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(2ethylhexyl)5((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC(C)C)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)C1=O)CC
InChI=1SC30H35N3O2S2c1571122(62)193229(34)27(3730(32)36)18242033(251298101325)3128(24)23141626(171523)3521(3)4h81012182022H571119H214H3b2718
MFCD02992580
ZINC000008772183
ZINC000008772186
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