Vitas-M small molecule compound
4-({2,6-dichloro-4-[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK075887
SMILES OC(=O)c1ccc(cc1)COc1c(Cl)cc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1
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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 C25H16Cl2N2O6 MW 511.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16Cl2N2O6/c26-19-11-15(12-20(27)21(19)35-13-14-6-8-16(9-7-14)24(32)33)10-18-22(30)28-25(34)29(23(18)31)17-4-2-1-3-5-17/h1-12H,13H2,(H,32,33)(H,28,30,34)/b18-10+InChIKey
NQGZKFODXWQMOB-VCHYOVAHSA-NSynonyms
4((26DICHLORO4((E)(246TRIOXO1PHENYL13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((26DICHLORO4((E)(246TRIOXO1PHENYLTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O)Cl)C(=O)NC2=O
InChI=1SC25H16Cl2N2O6c26191115(1220(27)21(19)3513146816(9714)24(32)33)101822(30)2825(34)29(23(18)31)174213517h112H13H2(H3233)(H283034)b1810+
MFCD02085073
OC(=O)c1ccc(cc1)COc1c(Cl)cc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1
STK075887
ZINC000013899307
ZINC13899307
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