Vitas-M small molecule compound
6-[(5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK702349
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\c2cn(nc2c2cc(C)ccc2C)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 C27H27N3O3S2 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S2/c1-18-12-13-19(2)22(15-18)25-20(17-30(28-25)21-9-5-3-6-10-21)16-23-26(33)29(27(34)35-23)14-8-4-7-11-24(31)32/h3,5-6,9-10,12-13,15-17H,4,7-8,11,14H2,1-2H3,(H,31,32)/b23-16-InChIKey
KWPAVHPMPKPZNY-KQWNVCNZSA-NSynonyms
(Z)6(5((3(25dimethylphenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)hexanoicacid
6((5Z)5((3(25dimethylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5((3(25DIMETHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
CC1=CC(=C(C=C1)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C4=CC=CC=C4
InChI=1SC27H27N3O3S2c118121319(2)22(1518)2520(1730(2825)2195361021)162326(33)29(27(34)3523)148471124(31)32h35691012131517H4781114H212H3(H3132)b2316
MFCD02995366
OC(=O)CCCCCN1C(=S)SC(=Cc2cn(nc2c2cc(C)ccc2C)c2ccccc2)C1=O
ZINC000002303575
ZINC2303575
Check stock
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Check stock on Vitas-MAvailable files
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