Vitas-M small molecule compound
(5Z)-3-heptyl-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810219
SMILES CCCCCCCN1C(=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 C29H33N3O2S2 MW 519.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O2S2/c1-3-5-6-7-11-18-31-28(33)26(36-29(31)35)20-23-21-32(24-12-9-8-10-13-24)30-27(23)22-14-16-25(17-15-22)34-19-4-2/h8-10,12-17,20-21H,3-7,11,18-19H2,1-2H3/b26-20-InChIKey
MNGTUNSODGZDFD-QOMWVZHYSA-NSynonyms
(5Z)3heptyl5((1phenyl3(4propoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3HEPTYL5((1PHENYL3(4PROPOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCC)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC)c2ccccc2)C1=O
InChI=1SC29H33N3O2S2c1356711183128(33)26(3629(31)35)20232132(241298101324)3027(23)22141625(171522)341942h81012172021H37111819H212H3b2620
MFCD03462497
ZINC000100840168
ZINC100840168
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