Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813350
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)OCCC)c2ccccc2)/C1=O)CC
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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 C30H34FN3O2S2 MW 551.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34FN3O2S2/c1-4-7-11-21(6-3)19-33-29(35)27(38-30(33)37)18-23-20-34(24-12-9-8-10-13-24)32-28(23)22-14-15-26(25(31)17-22)36-16-5-2/h8-10,12-15,17-18,20-21H,4-7,11,16,19H2,1-3H3/b27-18-InChIKey
IYTJDQNNBKQAMM-IMRQLAEWSA-NSynonyms
(5Z)3(2ethylhexyl)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(3fluoro4propoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3(2ETHYLHEXYL)5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)F)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCCC)c2ccccc2)C1=O)CC
InChI=1SC30H34FN3O2S2c1471121(63)193329(35)27(3830(33)37)18232034(241298101324)3228(23)22141526(25(31)1722)361652h810121517182021H47111619H213H3b2718
MFCD03506492
ZINC000100871343
ZINC000100871344
Check stock
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Check stock on Vitas-MAvailable files
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