Vitas-M small molecule compound
(5E)-5-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene}-1-(furan-2-ylmethyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368115
SMILES S=C1NC(=O)/C(=C\N2CCN(CC2)C(=O)c2ccco2)/C(=O)N1Cc1ccco1
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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 C19H18N4O5S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5S/c24-16-14(17(25)23(19(29)20-16)11-13-3-1-9-27-13)12-21-5-7-22(8-6-21)18(26)15-4-2-10-28-15/h1-4,9-10,12H,5-8,11H2,(H,20,24,29)/b14-12+InChIKey
ZAHNUPHJOFRXHK-WYMLVPIESA-NSynonyms
(5E)5((4(furan2carbonyl)piperazin1yl)methylidene)1(furan2ylmethyl)2sulfanylidene13diazinane46dione
(5E)5((4(furan2ylcarbonyl)piperazin1yl)methylidene)1(furan2ylmethyl)2thioxodihydropyrimidine46(1H5H)dione
C1CN(CCN1C=C2C(=O)NC(=S)N(C2=O)CC3=CC=CO3)C(=O)C4=CC=CO4
InChI=1SC19H18N4O5Sc241614(17(25)23(19(29)2016)11133192713)12215722(8621)18(26)1542102815h1491012H5811H2(H202429)b1412+
MFCD28952041
S=C1NC(=O)C(=CN2CCN(CC2)C(=O)c2ccco2)C(=O)N1Cc1ccco1
ZINC000096252964
ZINC96252964
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