Vitas-M small molecule compound

(5Z)-5-[(3-{3-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK556135
SMILES Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)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 C29H24FN3O2S2 MW 529.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O2S2/c1-19(2)33-28(34)26(37-29(33)36)16-22-17-32(24-8-4-3-5-9-24)31-27(22)21-7-6-10-25(15-21)35-18-20-11-13-23(30)14-12-20/h3-17,19H,18H2,1-2H3/b26-16-
InChIKey
WODXWHLDBGLQMC-QQXSKIMKSA-N
Synonyms
1009188-90-2
(5Z)5((3(3((4fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(propan2yl)2thioxo13thiazolidin4one
(5Z)5((3(3((4FLUOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(3((4fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylene)3isopropyl2thioxothiazolidin4one
1009188902
CC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)OCC4=CC=C(C=C4)F)C5=CC=CC=C5)SC1=S
Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)C(C)C)c1ccccc1
InChI=1SC29H24FN3O2S2c119(2)3328(34)26(3729(33)36)16221732(248435924)3127(22)21761025(1521)351820111323(30)141220h31719H18H212H3b2616
MFCD04015904
ZINC000002447775
ZINC000102473054
ZINC2447775

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.