Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810213
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-4-6-8-9-13-18-33-30(35)28(38-31(33)37)21-24-22-34(25-14-11-10-12-15-25)32-29(24)27-17-16-26(20-23(27)3)36-19-7-5-2/h10-12,14-17,20-22H,4-9,13,18-19H2,1-3H3/b28-21-InChIKey
BTPXIEHCAAGWNN-HFTWOUSFSA-NSynonyms
(5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(4butoxy2methylphenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OCCCC)c2ccccc2)C1=O
InChI=1SC31H37N3O2S2c1468913183330(35)28(3831(33)37)21242234(25141110121525)3229(24)27171626(2023(27)3)3619752h101214172022H49131819H213H3b2821
MFCD03462491
ZINC000100840160
ZINC100840160
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