Vitas-M small molecule compound
4-(2-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK201062
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2c2ccc(cc2)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 C23H17N3O5S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O5S/c1-31-18-10-8-16(9-11-18)26-21(28)19(20(27)24-23(26)32)13-17-3-2-12-25(17)15-6-4-14(5-7-15)22(29)30/h2-13H,1H3,(H,29,30)(H,24,27,32)/b19-13+InChIKey
BLAPAQUJTDHBTK-CPNJWEJPSA-NSynonyms
(Z)4(2((1(4methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hpyrrol1yl)benzoicacid
4(2((E)(1(4METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
4(2((E)(1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O
InChI=1SC23H17N3O5Sc1311810816(91118)2621(28)19(20(27)2423(26)32)1317321225(17)156414(5715)22(29)30h213H1H3(H2930)(H242732)b1913+
MFCD05041604
ZINC000009934881
ZINC9934881
Check stock
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