Vitas-M small molecule compound
3-(2-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK189474
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2c2cccc(c2)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 C24H19N3O5S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O5S/c1-2-32-19-10-8-16(9-11-19)27-22(29)20(21(28)25-24(27)33)14-18-7-4-12-26(18)17-6-3-5-15(13-17)23(30)31/h3-14H,2H2,1H3,(H,30,31)(H,25,28,33)/b20-14+InChIKey
GDKFVSLAMZTCHS-XSFVSMFZSA-NSynonyms
3(2((E)(1(4ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
3(2((E)(1(4ETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2cccc(c2)C(=O)O)C1=O
InChI=1SC24H19N3O5Sc12321910816(91119)2722(29)20(21(28)2524(27)33)1418741226(18)1763515(1317)23(30)31h314H2H21H3(H3031)(H252833)b2014+
MFCD03784841
ZINC000008451754
ZINC8451754
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