Vitas-M small molecule compound
2-{2-ethoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}propanoic acid
Catalog ID
STK176342
SMILES CCOc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=O)NC1=O
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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 C16H16N2O7 MW 348.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O7/c1-3-24-12-7-9(4-5-11(12)25-8(2)15(21)22)6-10-13(19)17-16(23)18-14(10)20/h4-8H,3H2,1-2H3,(H,21,22)(H2,17,18,19,20,23)InChIKey
SLXNODPDYMFMQB-UHFFFAOYSA-NSynonyms
(2R)2(2ETHOXY4((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2ETHOXY4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2ETHOXY4((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OC(C)C(=O)O
InChI=1SC16H16N2O7c13241279(4511(12)258(2)15(21)22)61013(19)1716(23)1814(10)20h48H3H212H3(H2122)(H21718192023)
MFCD03704825
ZINC000002892008
ZINC000004653008
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