Vitas-M small molecule compound
(2,6-dibromo-4-{(Z)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK187876
SMILES CCOc1ccc(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 C21H16Br2N2O6S MW 584.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Br2N2O6S/c1-2-30-13-5-3-12(4-6-13)25-20(29)14(19(28)24-21(25)32)7-11-8-15(22)18(16(23)9-11)31-10-17(26)27/h3-9H,2,10H2,1H3,(H,26,27)(H,24,28,32)/b14-7-InChIKey
SDZMQYJEBCOAMM-AUWJEWJLSA-NSynonyms
(26DIBROMO4((Z)(1(4ETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
2(26dibromo4((Z)(1(4ethoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)phenoxy)aceticacid
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)O)Br)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Br)c(c(c2)Br)OCC(=O)O)C1=O
InChI=1SC21H16Br2N2O6Sc1230135312(4613)2520(29)14(19(28)2421(25)32)711815(22)18(16(23)911)311017(26)27h39H210H21H3(H2627)(H242832)b147
MFCD02378912
ZINC000097960860
ZINC97960860
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