Vitas-M small molecule compound
(5Z)-3-octyl-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702596
SMILES CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OC(C)C)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/c1-4-5-6-7-8-12-19-32-29(34)27(37-30(32)36)20-24-21-33(25-13-10-9-11-14-25)31-28(24)23-15-17-26(18-16-23)35-22(2)3/h9-11,13-18,20-22H,4-8,12,19H2,1-3H3/b27-20-InChIKey
BTGNBBMAJBSHRA-OOAXWGSJSA-NSynonyms
(5Z)3octyl5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3octyl5((1phenyl3(4propan2yloxyphenyl)pyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)5((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3octyl2thioxothiazolidin4one
CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC(C)C)C4=CC=CC=C4)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)C1=O
InChI=1SC30H35N3O2S2c14567812193229(34)27(3730(32)36)20242133(2513109111425)3128(24)23151726(181623)3522(2)3h91113182022H481219H213H3b2720
MFCD02986235
ZINC000100756200
ZINC100756200
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