Vitas-M small molecule compound

(5Z)-5-(4-chlorobenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK861496
SMILES Clc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C

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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 C21H16ClN3O2S2 MW 441.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O2S2/c1-13-18(20(27)25(23(13)2)16-6-4-3-5-7-16)24-19(26)17(29-21(24)28)12-14-8-10-15(22)11-9-14/h3-12H,1-2H3/b17-12-
InChIKey
KTHPOJVYDNARRD-ATVHPVEESA-N
Synonyms

(5Z)5((4CHLOROPHENYL)METHYLIDENE)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(4chlorobenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxo13thiazolidin4one
(E)5(4chlorobenzylidene)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)2thioxothiazolidin4one
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC=C(C=C4)Cl)SC3=S
Clc1ccc(cc1)C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC21H16ClN3O2S2c11318(20(27)25(23(13)2)166435716)2419(26)17(2921(24)28)121481015(22)11914h312H12H3b1712
MFCD00703670
ZINC000001297933
ZINC01297933
ZINC1297933

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Available files

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