Vitas-M small molecule compound
(5Z)-3-(3-ethoxypropyl)-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799061
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC)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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-3-16-33-23-13-11-20(12-14-23)25-21(19-30(28-25)22-9-6-5-7-10-22)18-24-26(31)29(27(34)35-24)15-8-17-32-4-2/h5-7,9-14,18-19H,3-4,8,15-17H2,1-2H3/b24-18-InChIKey
YABVHEFJMPAECL-MOHJPFBDSA-NSynonyms
(5Z)3(3ethoxypropyl)5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3ETHOXYPROPYL)5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC)c2ccccc2)C1=O
InChI=1SC27H29N3O3S2c13163323131120(121423)2521(1930(2825)2296571022)182426(31)29(27(34)3524)158173242h579141819H3481517H212H3b2418
MFCD03462242
ZINC000016700686
ZINC16700686
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