Vitas-M small molecule compound
(5Z)-5-({3-[4-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798434
SMILES S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)/C(=O)N1C1CCS(=O)(=O)C1
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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 C30H25N3O4S3 MW 587.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O4S3/c34-29-27(39-30(38)33(29)25-15-16-40(35,36)20-25)17-23-18-32(24-9-5-2-6-10-24)31-28(23)22-11-13-26(14-12-22)37-19-21-7-3-1-4-8-21/h1-14,17-18,25H,15-16,19-20H2/b27-17-InChIKey
ANFYKECDBTVCFS-PKAZHMFMSA-NSynonyms
(5Z)3(11DIOXOTHIOLAN3YL)5((1PHENYL3(4PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(4(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(11dioxidotetrahydrothiophen3yl)2thioxo13thiazolidin4one
C1CS(=O)(=O)CC1N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6)SC2=S
InChI=1SC30H25N3O4S3c342927(3930(38)33(29)25151640(3536)2025)17231832(2495261024)3128(23)22111326(141222)3719217314821h114171825H15161920H2b2717
MFCD03461977
S=C1SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2)c2ccccc2)C(=O)N1C1CCS(=O)(=O)C1
ZINC000001473916
ZINC000002666032
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