Vitas-M small molecule compound
(5Z)-3-hexyl-5-({3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823015
SMILES CCCCCCN1C(=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 C29H32N4O4S3 MW 596.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O4S3/c1-2-3-4-8-15-32-28(34)26(39-29(32)38)20-23-21-33(24-9-6-5-7-10-24)30-27(23)22-11-13-25(14-12-22)40(35,36)31-16-18-37-19-17-31/h5-7,9-14,20-21H,2-4,8,15-19H2,1H3/b26-20-InChIKey
HKSSFKBDBUJXSN-QOMWVZHYSA-NSynonyms
(5Z)3hexyl5((3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3(4morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)S(=O)(=O)N2CCOCC2)c2ccccc2)C1=O
InChI=1SC29H32N4O4S3c12348153228(34)26(3929(32)38)20232133(2496571024)3027(23)22111325(141222)40(3536)31161837191731h579142021H2481519H21H3b2620
MFCD03463577
ZINC000097947134
ZINC97947134
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