Vitas-M small molecule compound
3-(5-{(Z)-[1-(2,3-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK113967
SMILES OC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1C)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 C24H18N2O5S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O5S/c1-13-5-3-8-19(14(13)2)26-22(28)18(21(27)25-24(26)32)12-17-9-10-20(31-17)15-6-4-7-16(11-15)23(29)30/h3-12H,1-2H3,(H,29,30)(H,25,27,32)/b18-12-InChIKey
QNRFBPVWLXRJCH-PDGQHHTCSA-NSynonyms
3(5((Z)(1(23DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(1(23DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC2=S)C
InChI=1SC24H18N2O5Sc11353819(14(13)2)2622(28)18(21(27)2524(26)32)121791020(3117)1564716(1115)23(29)30h312H12H3(H2930)(H252732)b1812
MFCD04127553
OC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)C
ZINC000012628345
ZINC12628345
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