Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797855
SMILES CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)/C1=O
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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 C28H22ClN3O2S2 MW 532.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O2S2/c1-2-31-27(33)25(36-28(31)35)16-21-17-32(23-6-4-3-5-7-23)30-26(21)20-10-14-24(15-11-20)34-18-19-8-12-22(29)13-9-19/h3-17H,2,18H2,1H3/b25-16-InChIKey
KUKBCUUFUXDZLV-XYGWBWBKSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3ethyl2thioxo13thiazolidin4one
(5Z)5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
InChI=1SC28H22ClN3O2S2c123127(33)25(3628(31)35)16211732(236435723)3026(21)20101424(151120)34181981222(29)13919h317H218H21H3b2516
MFCD03417214
ZINC000002704294
ZINC2704294
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