Vitas-M small molecule compound
4-(5-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Catalog ID
STK187996
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2C)C(=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 C25H20N2O5S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5S/c1-3-15-4-7-17(8-5-15)27-23(29)20(22(28)26-25(27)33)13-18-9-11-21(32-18)19-10-6-16(24(30)31)12-14(19)2/h4-13H,3H2,1-2H3,(H,30,31)(H,26,28,33)/b20-13-InChIKey
KPERDOZNBICUAQ-MOSHPQCFSA-NSynonyms
4(5((Z)(1(4ethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)furan2yl)3methylbenzoicacid
4(5((Z)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)C(=O)O)C)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2C)C(=O)O)C1=O
InChI=1SC25H20N2O5Sc13154717(8515)2723(29)20(22(28)2625(27)33)131891121(3218)1910616(24(30)31)1214(19)2h413H3H212H3(H3031)(H262833)b2013
MFCD03167291
ZINC000012342329
ZINC12342329
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