Vitas-M small molecule compound
5-{5-[(E)-{4-oxo-3-[(thiophen-2-ylcarbonyl)amino]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzene-1,3-dicarboxylic acid
Catalog ID
STK101883
SMILES S=C1S/C(=C/c2ccc(o2)c2cc(cc(c2)C(=O)O)C(=O)O)/C(=O)N1NC(=O)c1cccs1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H12N2O7S3 MW 500.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N2O7S3/c24-17(15-2-1-5-32-15)22-23-18(25)16(33-21(23)31)9-13-3-4-14(30-13)10-6-11(19(26)27)8-12(7-10)20(28)29/h1-9H,(H,22,24)(H,26,27)(H,28,29)/b16-9+InChIKey
BOVVKHMURGNSMB-CXUHLZMHSA-NSynonyms
662162-59-65(5((E)(4OXO2SULFANYLIDENE3(THIOPHENE2CARBONYLAMINO)13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZENE13DICARBOXYLICACID
5(5((E)(4OXO3((THIOPHEN2YLCARBONYL)AMINO)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZENE13DICARBOXYLICACID
662162596
C1=CSC(=C1)C(=O)NN2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)SC2=S
InChI=1SC21H12N2O7S3c2417(152153215)222318(25)16(3321(23)31)9133414(3013)10611(19(26)27)812(710)20(28)29h19H(H2224)(H2627)(H2829)b169+
MFCD05149655
S=C1SC(=Cc2ccc(o2)c2cc(cc(c2)C(=O)O)C(=O)O)C(=O)N1NC(=O)c1cccs1
ZINC000009762450
ZINC9762450
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