Vitas-M small molecule compound
(5Z)-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL038329
SMILES COc1cc(ccc1c1ccc(o1)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)C)S)[N+](=O)[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/c1-13-3-5-14(6-4-13)25-22(28)18(21(27)24-23(25)33)12-16-8-10-19(32-16)17-9-7-15(26(29)30)11-20(17)31-2/h3-12H,1-2H3,(H,24,27,33)/b18-12-InChIKey
IZVRXSOJLUUANK-PDGQHHTCSA-NSynonyms
(5Z)5((5(2METHOXY4NITROPHENYL)FURAN2YL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((5(2methoxy4nitrophenyl)furan2yl)methylidene)1(4methylphenyl)2sulfanylpyrimidine46(1H5H)dione
COc1cc(ccc1c1ccc(o1)C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)C)S)(N+)(=O)(O)
InChI=1SC23H17N3O6Sc1133514(6413)2522(28)18(21(27)2423(25)33)121681019(3216)179715(26(29)30)1120(17)312h312H12H3(H242733)b1812
MFCD03810129
ZINC000009065177
ZINC09065177
ZINC9065177
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