Vitas-M small molecule compound
{2-methoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STK899449
SMILES COc1cc(ccc1OCC(=O)O)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 C14H12N2O7 MW 320.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O7/c1-22-10-5-7(2-3-9(10)23-6-11(17)18)4-8-12(19)15-14(21)16-13(8)20/h2-5H,6H2,1H3,(H,17,18)(H2,15,16,19,20,21)InChIKey
VITYQFLQXINAEE-UHFFFAOYSA-NSynonyms
330956-59-7(2methoxy4((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2METHOXY4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
330956597
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OCC(=O)O
InChI=1SC14H12N2O7c1221057(239(10)23611(17)18)4812(19)1514(21)1613(8)20h25H6H21H3(H1718)(H21516192021)
MFCD01064470
ZINC000005023019
ZINC5023019
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