Vitas-M small molecule compound
(5E)-1-(4-ethoxyphenyl)-5-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368104
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\N2CCN(CC2)C(=O)c2ccco2)/C1=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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-2-30-16-7-5-15(6-8-16)26-20(28)17(19(27)23-22(26)32)14-24-9-11-25(12-10-24)21(29)18-4-3-13-31-18/h3-8,13-14H,2,9-12H2,1H3,(H,23,27,32)/b17-14+InChIKey
GPZDMPAZZKFLJJ-SAPNQHFASA-NSynonyms
(5E)1(4ethoxyphenyl)5((4(furan2carbonyl)piperazin1yl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(4ethoxyphenyl)5((4(furan2ylcarbonyl)piperazin1yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CN3CCN(CC3)C(=O)C4=CC=CO4)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=CN2CCN(CC2)C(=O)c2ccco2)C1=O
InChI=1SC22H22N4O5Sc1230167515(6816)2620(28)17(19(27)2322(26)32)142491125(121024)21(29)1843133118h381314H2912H21H3(H232732)b1714+
MFCD28952036
ZINC000105966079
ZINC105966079
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