Vitas-M small molecule compound
4-[(4-{(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK170558
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1Cl)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 C26H18Cl2N2O7 MW 541.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18Cl2N2O7/c1-36-22-11-15(4-9-21(22)37-13-14-2-5-16(6-3-14)25(33)34)10-18-23(31)29-26(35)30(24(18)32)20-8-7-17(27)12-19(20)28/h2-12H,13H2,1H3,(H,33,34)(H,29,31,35)/b18-10+InChIKey
PEDRZLPFYMVTBK-VCHYOVAHSA-NSynonyms
4((4((E)(1(24DICHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)(1(24DICHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)OCC4=CC=C(C=C4)C(=O)O
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1Cl)Cl
InChI=1SC26H18Cl2N2O7c136221115(4921(22)3713142516(6314)25(33)34)101823(31)2926(35)30(24(18)32)208717(27)1219(20)28h212H13H21H3(H3334)(H293135)b1810+
MFCD03064923
ZINC000097960553
ZINC97960553
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