Vitas-M small molecule compound
(5Z)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813348
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)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 C28H30FN3O2S2 MW 523.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3O2S2/c1-3-5-6-10-15-31-27(33)25(36-28(31)35)18-21-19-32(22-11-8-7-9-12-22)30-26(21)20-13-14-24(23(29)17-20)34-16-4-2/h7-9,11-14,17-19H,3-6,10,15-16H2,1-2H3/b25-18-InChIKey
YSPCTUGLHOKYIT-BWAHOGKJSA-NSynonyms
(5Z)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(3fluoro4propoxyphenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3HEXYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCC)F)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCCC)c2ccccc2)C1=O
InChI=1SC28H30FN3O2S2c135610153127(33)25(3628(31)35)18211932(22118791222)3026(21)20131424(23(29)1720)341642h7911141719H36101516H212H3b2518
MFCD03506472
ZINC000016730092
ZINC16730092
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