Vitas-M small molecule compound
2-(4-{(E)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
Catalog ID
STK175293
SMILES COc1cc(ccc1OC(C(=O)O)C)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1C)C
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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 C23H22N2O7 MW 438.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7/c1-12-6-5-7-17(13(12)2)25-21(27)16(20(26)24-23(25)30)10-15-8-9-18(19(11-15)31-4)32-14(3)22(28)29/h5-11,14H,1-4H3,(H,28,29)(H,24,26,30)/b16-10+InChIKey
LASXPKWCGXMZJI-MHWRWJLKSA-NSynonyms
2(4((E)(1(23DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)PROPANOICACID
2(4((E)(1(23DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)PROPANOICACID
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC(C)C(=O)O)OC)C(=O)NC2=O)C
COc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1C)C
InChI=1SC23H22N2O7c11265717(13(12)2)2521(27)16(20(26)2423(25)30)10158918(19(1115)314)3214(3)22(28)29h51114H14H3(H2829)(H242630)b1610+
MFCD03715424
ZINC000002817319
ZINC000002817321
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