Vitas-M small molecule compound
3-(5-{(E)-[1-(2,3-dichlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Catalog ID
STL052660
SMILES O=C1N=C(O)/C(=C\c2ccc(o2)c2cccc(c2C)C(=O)O)/C(=O)N1c1cccc(c1Cl)Cl
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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 C23H14Cl2N2O6 MW 485.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14Cl2N2O6/c1-11-13(4-2-5-14(11)22(30)31)18-9-8-12(33-18)10-15-20(28)26-23(32)27(21(15)29)17-7-3-6-16(24)19(17)25/h2-10H,1H3,(H,30,31)(H,26,28,32)/b15-10+InChIKey
WUZLVPHFLNWZLX-XNTDXEJSSA-NSynonyms
593273-15-53(5((E)(1(23DICHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
3(5((E)(1(23dichlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)furan2yl)2methylbenzoicacid
593273155
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC23H14Cl2N2O6c11113(42514(11)22(30)31)189812(3318)101520(28)2623(32)27(21(15)29)1773616(24)19(17)25h210H1H3(H3031)(H262832)b1510+
MFCD05734076
O=C1N=C(O)C(=Cc2ccc(o2)c2cccc(c2C)C(=O)O)C(=O)N1c1cccc(c1Cl)Cl
ZINC000002427960
ZINC2427960
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