Vitas-M small molecule compound
3-{(5Z)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Catalog ID
STK798299
SMILES OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2F)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 C29H22FN3O4S2 MW 559.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O4S2/c30-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)27-21(17-33(31-27)22-7-2-1-3-8-22)16-25-28(36)32(29(38)39-25)15-14-26(34)35/h1-13,16-17H,14-15,18H2,(H,34,35)/b25-16-InChIKey
OHNVRVAJHDOLQR-XYGWBWBKSA-NSynonyms
3((5Z)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(4((2FLUOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4F)C=C5C(=O)N(C(=S)S5)CCC(=O)O
InChI=1SC29H22FN3O4S2c3024954620(24)183723121019(111323)2721(1733(3127)227213822)162528(36)32(29(38)3925)151426(34)35h1131617H141518H2(H3435)b2516
MFCD03417626
OC(=O)CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)C1=O
ZINC000100838534
ZINC100838534
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