Vitas-M small molecule compound
4-({2-chloro-6-ethoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STL494965
SMILES CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(c1OCc1ccc(cc1)C(=O)O)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 C21H17ClN2O7 MW 444.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O7/c1-2-30-16-9-12(7-14-18(25)23-21(29)24-19(14)26)8-15(22)17(16)31-10-11-3-5-13(6-4-11)20(27)28/h3-9H,2,10H2,1H3,(H,27,28)(H2,23,24,25,26,29)InChIKey
ARPPISDNDPSZAB-UHFFFAOYSA-NSynonyms
4((2CHLORO6ETHOXY4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2CHLORO6ETHOXY4((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Cl)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC21H17ClN2O7c123016912(71418(25)2321(29)2419(14)26)815(22)17(16)3110113513(6411)20(27)28h39H210H21H3(H2728)(H22324252629)
MFCD03993747
ZINC000004483638
ZINC4483638
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