Vitas-M small molecule compound
(2,6-dibromo-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK046335
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Br)c(c(c2)Br)OCC(=O)O)/C1=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 C20H14Br2N2O7 MW 554.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Br2N2O7/c1-30-12-4-2-11(3-5-12)24-19(28)13(18(27)23-20(24)29)6-10-7-14(21)17(15(22)8-10)31-9-16(25)26/h2-8H,9H2,1H3,(H,25,26)(H,23,27,29)/b13-6+InChIKey
DDVPQXISKZWMAO-AWNIVKPZSA-NSynonyms
(26DIBROMO4((E)(1(4METHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(26DIBROMO4((E)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)O)Br)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Br)c(c(c2)Br)OCC(=O)O)C1=O
InChI=1SC20H14Br2N2O7c130124211(3512)2419(28)13(18(27)2320(24)29)610714(21)17(15(22)810)31916(25)26h28H9H21H3(H2526)(H232729)b136+
MFCD02084999
STK046335
ZINC000100215908
ZINC100215908
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