Vitas-M small molecule compound
3-(5-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
Catalog ID
STK622569
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1F)S)C
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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 C23H15FN2O5S MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15FN2O5S/c1-12-6-7-13(22(29)30)10-15(12)19-9-8-14(31-19)11-16-20(27)25-23(32)26(21(16)28)18-5-3-2-4-17(18)24/h2-11H,1H3,(H,29,30)(H,25,27,32)/b16-11-InChIKey
KFZCZJOMZNSNQO-WJDWOHSUSA-NSynonyms
3(5((Z)(1(2fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)4methylbenzoicacid
3(5((Z)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)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=C4F
InChI=1SC23H15FN2O5Sc1126713(22(29)30)1015(12)199814(3119)111620(27)2523(32)26(21(16)28)18532417(18)24h211H1H3(H2930)(H252732)b1611
MFCD09794137
OC(=O)c1ccc(c(c1)c1ccc(o1)C=C1C(=O)N=C(N(C1=O)c1ccccc1F)S)C
ZINC000002308687
ZINC2308687
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