Vitas-M small molecule compound
3-{5-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL375286
SMILES S=C1N(C2CCCCC2)C(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(=O)O)/N1C
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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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-23-18(20(25)24(22(23)29)16-8-3-2-4-9-16)13-17-10-11-19(28-17)14-6-5-7-15(12-14)21(26)27/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,26,27)/b18-13-InChIKey
UQWJCBDJNLBQKT-AQTBWJFISA-NSynonyms
3(5((Z)(1CYCLOHEXYL3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(1cyclohexyl3methyl5oxo2thioxoimidazolidin4ylidene)methyl)furan2yl)benzoicacid
CN1C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C(=O)N(C1=S)C4CCCCC4
InChI=1SC22H22N2O4Sc12318(20(25)24(22(23)29)168324916)1317101119(2817)1465715(1214)21(26)27h57101316H2489H21H3(H2627)b1813
MFCD04062558
S=C1N(C2CCCCC2)C(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)N1C
ZINC000004498626
ZINC4498626
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