Vitas-M small molecule compound
2-(4-{(Z)-[1-(2,3-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STL405628
SMILES CC(C(=O)O)Oc1ccc(cc1)/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 C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-12-5-4-6-18(13(12)2)24-20(26)17(19(25)23-22(24)29)11-15-7-9-16(10-8-15)30-14(3)21(27)28/h4-11,14H,1-3H3,(H,27,28)(H,23,25,29)/b17-11-InChIKey
VIXVRUGOXFYVEY-BOPFTXTBSA-NSynonyms
2(4((Z)(1(23DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((Z)(1(23dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)propanoicacid
CC(C(=O)O)Oc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1C)C
CC1=C(C(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=O)NC2=O)C
InChI=1SC22H20N2O6c11254618(13(12)2)2420(26)17(19(25)2322(24)29)11157916(10815)3014(3)21(27)28h41114H13H3(H2728)(H232529)b1711
MFCD02904975
ZINC000016350005
ZINC000016350008
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