Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799194
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OCC)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/c1-4-6-7-8-9-13-18-32-29(34)27(37-30(32)36)20-23-21-33(24-14-11-10-12-15-24)31-28(23)26-17-16-25(35-5-2)19-22(26)3/h10-12,14-17,19-21H,4-9,13,18H2,1-3H3/b27-20-InChIKey
XABJGHWGJVICBY-OOAXWGSJSA-NSynonyms
955873-62-8(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3octyl2thioxo13thiazolidin4one
(5Z)5((3(4ethoxy2methylphenyl)1phenylpyrazol4yl)methylidene)3octyl2sulfanylidene13thiazolidin4one
(Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
955873628
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCC)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCC)c2ccccc2)C1=O
InChI=1SC30H35N3O2S2c14678913183229(34)27(3730(32)36)20232133(24141110121524)3128(23)26171625(3552)1922(26)3h101214171921H491318H213H3b2720
MFCD03418464
ZINC000100839798
ZINC100839798
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