Vitas-M small molecule compound
butyl 4-{5-[(E)-{4-oxo-3-[(phenylcarbonyl)amino]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL419068
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/SC(=S)N(C1=O)NC(=O)c1ccccc1
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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 C26H22N2O5S2 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S2/c1-2-3-15-32-25(31)19-11-9-17(10-12-19)21-14-13-20(33-21)16-22-24(30)28(26(34)35-22)27-23(29)18-7-5-4-6-8-18/h4-14,16H,2-3,15H2,1H3,(H,27,29)/b22-16+InChIKey
XSHNMOIFLPCPPS-CJLVFECKSA-NSynonyms
butyl4(5((E)(3benzamido4oxo2sulfanylidene13thiazolidin5ylidene)methyl)furan2yl)benzoate
butyl4(5((E)(4oxo3((phenylcarbonyl)amino)2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)S3)NC(=O)C4=CC=CC=C4
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1SC(=S)N(C1=O)NC(=O)c1ccccc1
InChI=1SC26H22N2O5S2c123153225(31)1911917(101219)21141320(3321)162224(30)28(26(34)3522)2723(29)187546818h41416H2315H21H3(H2729)b2216+
MFCD04084382
ZINC000009310460
ZINC09310460
ZINC9310460
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