Vitas-M small molecule compound
(4-{(Z)-[1-(4-bromo-3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
Catalog ID
STK170349
SMILES CCOc1cc(ccc1OCC(=O)O)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
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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 C22H19BrN2O7 MW 503.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O7/c1-3-31-18-10-13(4-7-17(18)32-11-19(26)27)9-15-20(28)24-22(30)25(21(15)29)14-5-6-16(23)12(2)8-14/h4-10H,3,11H2,1-2H3,(H,26,27)(H,24,28,30)/b15-9-InChIKey
IGTCGTTXDJJXSD-DHDCSXOGSA-NSynonyms
6055-09-0(4((Z)(1(4BROMO3METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
2(4((Z)(1(4BROMO3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETICACID
6055090
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)Br)C)OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)Br
InChI=1SC22H19BrN2O7c1331181013(4717(18)321119(26)27)91520(28)2422(30)25(21(15)29)145616(23)12(2)814h410H311H212H3(H2627)(H242830)b159
MFCD02623691
ZINC000014010678
ZINC14010678
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