Vitas-M small molecule compound
2-(4-{(E)-[1-(2,4-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
Catalog ID
STK175294
SMILES COc1cc(ccc1OC(C(=O)O)C)/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 C21H16Cl2N2O7 MW 479.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O7/c1-10(20(28)29)32-16-6-3-11(8-17(16)31-2)7-13-18(26)24-21(30)25(19(13)27)15-5-4-12(22)9-14(15)23/h3-10H,1-2H3,(H,28,29)(H,24,26,30)/b13-7+InChIKey
CYSZFYWXGOXELG-NTUHNPAUSA-NSynonyms
2(4((E)(1(24DICHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)PROPANOICACID
2(4((E)(1(24DICHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)PROPANOICACID
CC(C(=O)O)OC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)OC
COc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1Cl)Cl
InChI=1SC21H16Cl2N2O7c110(20(28)29)32166311(817(16)312)71318(26)2421(30)25(19(13)27)155412(22)914(15)23h310H12H3(H2829)(H242630)b137+
MFCD03714924
ZINC000002815764
ZINC000002815766
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