Vitas-M small molecule compound
2-{2-methoxy-4-[(Z)-{(2E)-2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}propanoic acid
Catalog ID
STK080373
SMILES COc1cc(ccc1OC(C(=O)O)C)/C=C/1\S/C(=N/c2cccc(c2)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/c1-12-5-4-6-15(9-12)22-21-23-19(24)18(29-21)11-14-7-8-16(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
URGQTGNTKKSFDI-WQRHYEAKSA-NSynonyms
2(2METHOXY4((Z)((2E)2((3METHYLPHENYL)IMINO)4OXO13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2methoxy4((Z)(2(3methylanilino)4oxo13thiazol5ylidene)methyl)phenoxy)propanoicacid
CC1=CC(=CC=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(=Nc2cccc(c2)C)NC1=O
InChI=1SC21H20N2O5Sc11254615(912)22212319(24)18(2921)11147816(17(1014)273)2813(2)20(25)26h41113H13H3(H2526)(H222324)b1811
MFCD03556632
STK080373
ZINC000006044710
ZINC000006044711
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