Vitas-M small molecule compound
(5Z)-3-butyl-5-({3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808904
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCOCC2)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 C27H28N4O4S3 MW 568.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S3/c1-2-3-13-30-26(32)24(37-27(30)36)18-21-19-31(22-7-5-4-6-8-22)28-25(21)20-9-11-23(12-10-20)38(33,34)29-14-16-35-17-15-29/h4-12,18-19H,2-3,13-17H2,1H3/b24-18-InChIKey
KGBPJCWSXJZTBK-MOHJPFBDSA-NSynonyms
(5Z)3butyl5((3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BUTYL5((3(4MORPHOLIN4YLSULFONYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCOCC2)c2ccccc2)C1=O
InChI=1SC27H28N4O4S3c123133026(32)24(3727(30)36)18211931(227546822)2825(21)2091123(121020)38(3334)29141635171529h4121819H231317H21H3b2418
MFCD02713616
ZINC000100740346
ZINC100740346
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