Vitas-M small molecule compound
4-(5-{(Z)-[1-(3,5-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK088720
SMILES Cc1cc(C)cc(c1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)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 C24H18N2O5S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O5S/c1-13-9-14(2)11-17(10-13)26-22(28)19(21(27)25-24(26)32)12-18-7-8-20(31-18)15-3-5-16(6-4-15)23(29)30/h3-12H,1-2H3,(H,29,30)(H,25,27,32)/b19-12-InChIKey
QACCIOUTGAIGRZ-UNOMPAQXSA-NSynonyms
4(5((Z)(1(35DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((Z)(1(35DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O
InChI=1SC24H18N2O5Sc113914(2)1117(1013)2622(28)19(21(27)2524(26)32)12187820(3118)153516(6415)23(29)30h312H12H3(H2930)(H252732)b1912
MFCD08679777
STK088720
ZINC000009724331
ZINC9724331
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