Vitas-M small molecule compound
(5E)-1-(4-ethoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374888
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2ccccc2[N+](=O)[O-])/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 C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c1-2-31-15-9-7-14(8-10-15)25-22(28)18(21(27)24-23(25)33)13-16-11-12-20(32-16)17-5-3-4-6-19(17)26(29)30/h3-13H,2H2,1H3,(H,24,27,33)/b18-13+InChIKey
LUUULYXDNDGZDJ-QGOAFFKASA-NSynonyms
(5E)1(4ETHOXYPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4ethoxyphenyl)5((5(2nitrophenyl)furan2yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4(N+)(=O)(O))C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))C1=O
InChI=1SC23H17N3O6Sc1231159714(81015)2522(28)18(21(27)2423(25)33)1316111220(3216)17534619(17)26(29)30h313H2H21H3(H242733)b1813+
MFCD02211793
ZINC000002877848
ZINC2877848
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