Vitas-M small molecule compound
4-({2-methoxy-4-[(E)-(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK177830
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C\1/NC(=S)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 C19H16N2O5S MW 384.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O5S/c1-25-16-9-12(8-14-17(22)21-19(27)20-14)4-7-15(16)26-10-11-2-5-13(6-3-11)18(23)24/h2-9H,10H2,1H3,(H,23,24)(H2,20,21,22,27)/b14-8+InChIKey
ORABJUNQEVDLLS-RIYZIHGNSA-NSynonyms
4((2METHOXY4((E)(5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2METHOXY4((E)(5OXO2THIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OCC3=CC=C(C=C3)C(=O)O
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1NC(=S)NC1=O
InChI=1SC19H16N2O5Sc12516912(81417(22)2119(27)2014)4715(16)2610112513(6311)18(23)24h29H10H21H3(H2324)(H220212227)b148+
MFCD03182053
ZINC000004618167
ZINC4618167
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