Vitas-M small molecule compound

(5Z)-5-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK800792
SMILES S=C1S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/C(=O)N1CC1CCCO1

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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 C31H27N3O3S2 MW 553.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N3O3S2/c35-30-28(39-31(38)33(30)20-27-15-8-16-36-27)18-24-19-34(25-12-5-2-6-13-25)32-29(24)23-11-7-14-26(17-23)37-21-22-9-3-1-4-10-22/h1-7,9-14,17-19,27H,8,15-16,20-21H2/b28-18-
InChIKey
YUBQPIMPTAIEJX-VEILYXNESA-N
Synonyms

(5Z)3(OXOLAN2YLMETHYL)5((1PHENYL3(3PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5((3(3(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
C1CC(OC1)CN2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)OCC5=CC=CC=C5)C6=CC=CC=C6)SC2=S
InChI=1SC31H27N3O3S2c353028(3931(38)33(30)2027158163627)18241934(25125261325)3229(24)231171426(1723)37212293141022h17914171927H815162021H2b2818
MFCD06314334
S=C1SC(=Cc2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)C(=O)N1CC1CCCO1
ZINC000097946728
ZINC000097946729

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Available files

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