Vitas-M small molecule compound
(5Z)-3-ethyl-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703036
SMILES CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)C)OCCC(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 C27H29N3O2S2 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S2/c1-5-29-26(31)24(34-27(29)33)16-21-17-30(22-9-7-6-8-10-22)28-25(21)20-11-12-23(19(4)15-20)32-14-13-18(2)3/h6-12,15-18H,5,13-14H2,1-4H3/b24-16-InChIKey
JTMCEVJIFCUGIB-JLPGSUDCSA-NSynonyms
(5Z)3ethyl5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3ETHYL5((3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3ethyl5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC(C)C)C)C4=CC=CC=C4)SC1=S
CCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)C)OCCC(C)C)c2ccccc2)C1=O
InChI=1SC27H29N3O2S2c152926(31)24(3427(29)33)16211730(2297681022)2825(21)20111223(19(4)1520)32141318(2)3h6121518H51314H214H3b2416
MFCD02987847
ZINC000002198428
ZINC02198428
ZINC2198428
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