Vitas-M small molecule compound
prop-2-en-1-yl 2-chloro-5-{5-[(E)-(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK393855
SMILES C=CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/NC(=S)NC1=O
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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 C18H13ClN2O4S MW 388.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O4S/c1-2-7-24-17(23)12-8-10(3-5-13(12)19)15-6-4-11(25-15)9-14-16(22)21-18(26)20-14/h2-6,8-9H,1,7H2,(H2,20,21,22,26)/b14-9+InChIKey
SMIWRILWBDJESB-NTEUORMPSA-NSynonyms
C=CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=S)N3)Cl
C=CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1NC(=S)NC1=O
InChI=1SC18H13ClN2O4Sc1272417(23)12810(3513(12)19)156411(2515)91416(22)2118(26)2014h2689H17H2(H220212226)b149+
MFCD01347363
prop2en1yl2chloro5(5((E)(5oxo2thioxoimidazolidin4ylidene)methyl)furan2yl)benzoate
PROP2ENYL2CHLORO5(5((E)(5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000004150988
ZINC04150988
ZINC4150988
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