Vitas-M small molecule compound
2-chloro-4-(3-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STL388611
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)C)/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 C25H20ClN3O5S MW 509.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O5S/c1-13-10-15(14(2)28(13)17-6-9-19(24(32)33)21(26)12-17)11-20-22(30)27-25(35)29(23(20)31)16-4-7-18(34-3)8-5-16/h4-12H,1-3H3,(H,32,33)(H,27,30,35)/b20-11+InChIKey
XVEGVMKFFRWZMD-RGVLZGJSSA-NSynonyms
2chloro4(3((E)(1(4methoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzoicacid
2chloro4(3((E)(1(4methoxyphenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
CC1=CC(=C(N1C2=CC(=C(C=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)C)C1=O
InChI=1SC25H20ClN3O5Sc1131015(14(2)28(13)176919(24(32)33)21(26)1217)112022(30)2725(35)29(23(20)31)164718(343)8516h412H13H3(H3233)(H273035)b2011+
MFCD02788444
ZINC000059248180
ZINC59248180
Check stock
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