Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823870
SMILES Clc1ccc(c(c1)Cl)COc1ccc(cc1)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 C30H23Cl2N3O4S3 MW 656.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23Cl2N3O4S3/c31-22-9-6-20(26(32)15-22)17-39-25-10-7-19(8-11-25)28-21(16-34(33-28)23-4-2-1-3-5-23)14-27-29(36)35(30(40)41-27)24-12-13-42(37,38)18-24/h1-11,14-16,24H,12-13,17-18H2/b27-14-InChIKey
FIQFWMKWOPBYEA-VYYCAZPPSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(11dioxidotetrahydrothiophen3yl)2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3(11dioxothiolan3yl)2sulfanylidene13thiazolidin4one
C1CS(=O)(=O)CC1N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6)SC2=S
Clc1ccc(c(c1)Cl)COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)c1ccccc1
InChI=1SC30H23Cl2N3O4S3c31229620(26(32)1522)17392510719(81125)2821(1634(3328)234213523)142729(36)35(30(40)4127)24121342(3738)1824h111141624H12131718H2b2714
MFCD18075749
ZINC000097947213
ZINC000097947214
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