Vitas-M small molecule compound

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

Catalog ID
STK865710
SMILES COc1cc(ccc1O)/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 C22H19N3O4S2 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S2/c1-13-19(21(28)25(23(13)2)15-7-5-4-6-8-15)24-20(27)18(31-22(24)30)12-14-9-10-16(26)17(11-14)29-3/h4-12,26H,1-3H3/b18-12-
InChIKey
SZESRDLHBLPEJF-PDGQHHTCSA-N
Synonyms

(5Z)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(4hydroxy3methoxybenzylidene)2thioxo13thiazolidin4one
(5Z)3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5(4hydroxy3methoxybenzylidene)2thioxothiazolidin4one
3(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)5(4HYDROXY3METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=C(C=C4)O)OC)SC3=S
COc1cc(ccc1O)C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C
InChI=1SC22H19N3O4S2c11319(21(28)25(23(13)2)157546815)2420(27)18(3122(24)30)121491016(26)17(1114)293h41226H13H3b1812
MFCD00841254
ZINC000001009701
ZINC01009701
ZINC1009701

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Available files

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