Vitas-M small molecule compound
3-{5-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STL427387
SMILES S=C1S/C(=C/c2ccc(o2)c2cccc(c2)C(=O)O)/C(=O)N1C1CCCCC1
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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 C21H19NO4S2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S2/c23-19-18(28-21(27)22(19)15-7-2-1-3-8-15)12-16-9-10-17(26-16)13-5-4-6-14(11-13)20(24)25/h4-6,9-12,15H,1-3,7-8H2,(H,24,25)/b18-12+InChIKey
XTYZAFJGFIELSU-LDADJPATSA-NSynonyms
3(5((E)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((E)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoicacid
C1CCC(CC1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)SC2=S
InChI=1SC21H19NO4S2c231918(2821(27)22(19)157213815)121691017(2616)1354614(1113)20(24)25h4691215H1378H2(H2425)b1812+
MFCD04083061
ZINC000002472928
ZINC2472928
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