Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-ethylhexyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK701886
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Br)OC)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 C28H30BrN3O2S2 MW 584.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrN3O2S2/c1-4-6-10-19(5-2)17-31-27(33)25(36-28(31)35)16-21-18-32(22-11-8-7-9-12-22)30-26(21)20-13-14-24(34-3)23(29)15-20/h7-9,11-16,18-19H,4-6,10,17H2,1-3H3/b25-16-InChIKey
ZGIWLBUEKJLXGS-XYGWBWBKSA-NSynonyms
(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2ethylhexyl)2thioxo13thiazolidin4one
(5Z)5((3(3bromo4methoxyphenyl)1phenylpyrazol4yl)methylidene)3(2ethylhexyl)2sulfanylidene13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Br)OC)c2ccccc2)C1=O)CC
InChI=1SC28H30BrN3O2S2c1461019(52)173127(33)25(3628(31)35)16211832(22118791222)3026(21)20131424(343)23(29)1520h7911161819H461017H213H3b2516
MFCD03461664
ZINC000097946071
ZINC000097946073
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