Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799328
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCCC)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 C30H35N3O2S2 MW 533.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2S2/c1-3-5-7-8-12-19-32-29(34)27(37-30(32)36)21-24-22-33(25-13-10-9-11-14-25)31-28(24)23-15-17-26(18-16-23)35-20-6-4-2/h9-11,13-18,21-22H,3-8,12,19-20H2,1-2H3/b27-21-InChIKey
OSRIHDTWJYJOPM-MEFGMAGPSA-NSynonyms
(5Z)5((3(4butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3HEPTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCCC)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCCC)c2ccccc2)C1=O
InChI=1SC30H35N3O2S2c1357812193229(34)27(3730(32)36)21242233(2513109111425)3128(24)23151726(181623)3520642h91113182122H38121920H212H3b2721
MFCD03418532
ZINC000100839996
ZINC100839996
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