Vitas-M small molecule compound
{2,6-dibromo-4-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetic acid
Catalog ID
STK177134
SMILES OC(=O)COc1c(Br)cc(cc1Br)/C=C/1\C(=O)NC(=O)N(C1=O)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 C14H10Br2N2O6 MW 462.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10Br2N2O6/c1-18-13(22)7(12(21)17-14(18)23)2-6-3-8(15)11(9(16)4-6)24-5-10(19)20/h2-4H,5H2,1H3,(H,19,20)(H,17,21,23)/b7-2+InChIKey
NPXDOZGVYPHOSN-FARCUNLSSA-NSynonyms
(26DIBROMO4((E)(1METHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(26dibromo4((E)(1methyl246trioxo13diazinan5ylidene)methyl)phenoxy)aceticacid
CN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC(=O)O)Br)C(=O)NC1=O
InChI=1SC14H10Br2N2O6c11813(22)7(12(21)1714(18)23)2638(15)11(9(16)46)24510(19)20h24H5H21H3(H1920)(H172123)b72+
MFCD02084993
OC(=O)COc1c(Br)cc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)C
ZINC000009310984
ZINC9310984
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