Vitas-M small molecule compound

(5Z)-5-{[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK726569
SMILES CCOc1ccc(cc1)N1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)Br)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 C27H20BrN3O2S2 MW 562.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrN3O2S2/c1-2-33-23-14-12-22(13-15-23)31-26(32)24(35-27(31)34)16-19-17-30(21-6-4-3-5-7-21)29-25(19)18-8-10-20(28)11-9-18/h3-17H,2H2,1H3/b24-16-
InChIKey
HMKPOLLJDLOZNQ-JLPGSUDCSA-N
Synonyms

(5Z)5((3(4bromophenyl)1phenyl1Hpyrazol4yl)methylidene)3(4ethoxyphenyl)2thioxo13thiazolidin4one
(5Z)5((3(4BROMOPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(4ETHOXYPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4bromophenyl)1phenyl1Hpyrazol4yl)methylene)3(4ethoxyphenyl)2thioxothiazolidin4one
5((3(4BROMOPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)3(4ETHOXYPHENYL)2THIOXO13THIAZOLIDIN4ONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)SC2=S
CCOc1ccc(cc1)N1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)Br)c2ccccc2)C1=O
InChI=1SC27H20BrN3O2S2c123323141222(131523)3126(32)24(3527(31)34)16191730(216435721)2925(19)1881020(28)11918h317H2H21H3b2416
MFCD01458368
ZINC000001881390
ZINC01881390
ZINC1881390

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Available files

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