Vitas-M small molecule compound
butyl 2-chloro-5-{5-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL381993
SMILES CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\SC(=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 C19H16ClNO4S2 MW 421.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClNO4S2/c1-2-3-8-24-18(23)13-9-11(4-6-14(13)20)15-7-5-12(25-15)10-16-17(22)21-19(26)27-16/h4-7,9-10H,2-3,8H2,1H3,(H,21,22,26)/b16-10-InChIKey
XOOXDZSVHTXSME-YBEGLDIGSA-NSynonyms
butyl2chloro5(5((Z)(4oxo2sulfanylidene13thiazolidin5ylidene)methyl)furan2yl)benzoate
butyl2chloro5(5((Z)(4oxo2thioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)S3)Cl
CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1SC(=S)NC1=O
InChI=1SC19H16ClNO4S2c12382418(23)13911(4614(13)20)157512(2515)101617(22)2119(26)2716h47910H238H21H3(H212226)b1610
MFCD01164159
ZINC000027499759
ZINC27499759
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