Vitas-M small molecule compound
(2,6-dibromo-4-{(E)-[1-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK192510
SMILES COc1ccc(cc1)N1C(=S)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 C20H14Br2N2O6S MW 570.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Br2N2O6S/c1-29-12-4-2-11(3-5-12)24-19(28)13(18(27)23-20(24)31)6-10-7-14(21)17(15(22)8-10)30-9-16(25)26/h2-8H,9H2,1H3,(H,25,26)(H,23,27,31)/b13-6+InChIKey
RLBLAWXLBCBBHM-AWNIVKPZSA-NSynonyms
(26DIBROMO4((E)(1(4METHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(26dibromo4((E)(1(4methoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)aceticacid
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)O)Br)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Br)c(c(c2)Br)OCC(=O)O)C1=O
InChI=1SC20H14Br2N2O6Sc129124211(3512)2419(28)13(18(27)2320(24)31)610714(21)17(15(22)810)30916(25)26h28H9H21H3(H2526)(H232731)b136+
MFCD02085005
ZINC000100215981
ZINC100215981
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