Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK822660
SMILES COc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)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 C24H20ClN3O4S3 MW 546.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O4S3/c1-32-20-8-7-15(11-19(20)25)22-16(13-27(26-22)17-5-3-2-4-6-17)12-21-23(29)28(24(33)34-21)18-9-10-35(30,31)14-18/h2-8,11-13,18H,9-10,14H2,1H3/b21-12-InChIKey
NRZAFVIUCAJDSD-MTJSOVHGSA-NSynonyms
(5Z)5((3(3chloro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(11dioxidotetrahydrothiophen3yl)2thioxo13thiazolidin4one
(5Z)5((3(3chloro4methoxyphenyl)1phenylpyrazol4yl)methylidene)3(11dioxothiolan3yl)2sulfanylidene13thiazolidin4one
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4)C5=CC=CC=C5)Cl
COc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1
InChI=1SC24H20ClN3O4S3c132208715(1119(20)25)2216(1327(2622)175324617)122123(29)28(24(33)3421)1891035(3031)1418h28111318H91014H21H3b2112
MFCD03212275
ZINC000097947099
ZINC000097947100
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