Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK821669
SMILES COc1ccc(cc1Br)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(c1ccccc1)C)c1ccccc1
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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 C28H22BrN3O2S2 MW 576.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrN3O2S2/c1-18(19-9-5-3-6-10-19)32-27(33)25(36-28(32)35)16-21-17-31(22-11-7-4-8-12-22)30-26(21)20-13-14-24(34-2)23(29)15-20/h3-18H,1-2H3/b25-16-InChIKey
LRSHBHZZFUQCCO-XYGWBWBKSA-NSynonyms
(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(1phenylethyl)2thioxo13thiazolidin4one
(5Z)5((3(3bromo4methoxyphenyl)1phenylpyrazol4yl)methylidene)3(1phenylethyl)2sulfanylidene13thiazolidin4one
CC(C1=CC=CC=C1)N2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)SC2=S
COc1ccc(cc1Br)c1nn(cc1C=C1SC(=S)N(C1=O)C(c1ccccc1)C)c1ccccc1
InChI=1SC28H22BrN3O2S2c118(1995361019)3227(33)25(3628(32)35)16211731(22117481222)3026(21)20131424(342)23(29)1520h318H12H3b2516
MFCD03462937
ZINC000097946945
ZINC000097946946
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