Vitas-M small molecule compound
(2-bromo-6-chloro-4-{(Z)-[1-(4-ethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK612675
SMILES CCc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(Cl)c(c(c2)Br)OCC(=O)O)/C1=O)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 C21H16BrClN2O6 MW 507.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrClN2O6/c1-2-11-3-5-13(6-4-11)25-20(29)14(19(28)24-21(25)30)7-12-8-15(22)18(16(23)9-12)31-10-17(26)27/h3-9H,2,10H2,1H3,(H,26,27)(H,24,28,30)/b14-7-InChIKey
OBWUCTPVFYPNSV-AUWJEWJLSA-NSynonyms
(2bromo6chloro4((Z)(1(4ethylphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(2BROMO6CHLORO4((Z)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)O)Cl)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)N=C(C(=Cc2cc(Cl)c(c(c2)Br)OCC(=O)O)C1=O)O
InChI=1SC21H16BrClN2O6c12113513(6411)2520(29)14(19(28)2421(25)30)712815(22)18(16(23)912)311017(26)27h39H210H21H3(H2627)(H242830)b147
MFCD08734573
ZINC000008769417
ZINC8769417
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