Vitas-M small molecule compound

2-{2-methoxy-4-[(E)-{(2Z)-2-[(4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}propanoic acid

Catalog ID
STK153003
SMILES COc1cc(ccc1OC(C(=O)O)C)/C=C\1/S/C(=N\c2ccc(cc2)C)/NC1=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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-12-4-7-15(8-5-12)22-21-23-19(24)18(29-21)11-14-6-9-16(17(10-14)27-3)28-13(2)20(25)26/h4-11,13H,1-3H3,(H,25,26)(H,22,23,24)/b18-11+
InChIKey
RXCHOIAAGYZNDG-WOJGMQOQSA-N
Synonyms

2(2METHOXY4((E)((2Z)2((4METHYLPHENYL)IMINO)4OXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2METHOXY4((E)(2(4METHYLANILINO)4OXO13THIAZOL5YLIDENE)METHYL)PHENOXY)PROPANOICACID
CC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)OC(C)C(=O)O)OC)S2
COc1cc(ccc1OC(C(=O)O)C)C=C1SC(=Nc2ccc(cc2)C)NC1=O
InChI=1SC21H20N2O5Sc1124715(8512)22212319(24)18(2921)11146916(17(1014)273)2813(2)20(25)26h41113H13H3(H2526)(H222324)b1811+
MFCD04308009
ZINC000004694886
ZINC000004694887

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Available files

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