Vitas-M small molecule compound

3-(5-{(E)-[1-(2-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid

Catalog ID
STK195643
SMILES COc1ccccc1N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2C)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 C24H18N2O6S MW 462.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O6S/c1-13-7-8-14(23(29)30)11-16(13)19-10-9-15(32-19)12-17-21(27)25-24(33)26(22(17)28)18-5-3-4-6-20(18)31-2/h3-12H,1-2H3,(H,29,30)(H,25,27,33)/b17-12+
InChIKey
KKHGOGSOYPFGHS-SFQUDFHCSA-N
Synonyms

3(5((1(2METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)2FURYL)4METHYLBENZOICACID
3(5((E)(1(2METHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
3(5((E)(1(2METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4OC
COc1ccccc1N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2C)C(=O)O)C1=O
InChI=1SC24H18N2O6Sc1137814(23(29)30)1116(13)1910915(3219)121721(27)2524(33)26(22(17)28)18534620(18)312h312H12H3(H2930)(H252733)b1712+
MFCD04089493
ZINC000000665794
ZINC665794

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.