Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810605
SMILES Fc1ccc(cc1)COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)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 C31H26FN3O3S2 MW 571.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26FN3O3S2/c32-24-12-8-21(9-13-24)20-38-26-14-10-22(11-15-26)29-23(18-35(33-29)25-5-2-1-3-6-25)17-28-30(36)34(31(39)40-28)19-27-7-4-16-37-27/h1-3,5-6,8-15,17-18,27H,4,7,16,19-20H2/b28-17-InChIKey
XXKTUMMTUVBSMK-QRQIAZFYSA-NSynonyms
(5Z)5((3(4((4fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(4((4FLUOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CC(OC1)CN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=C(C=C5)F)C6=CC=CC=C6)SC2=S
InChI=1SC31H26FN3O3S2c322412821(91324)203826141022(111526)2923(1835(3329)255213625)172830(36)34(31(39)4028)192774163727h1356815171827H47161920H2b2817
MFCD04490257
ZINC000097946328
ZINC000097946329
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