Vitas-M small molecule compound

4-[(2,6-dibromo-4-{(E)-[1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid

Catalog ID
STK177159
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Br)c(c(c2)Br)OCc2ccc(cc2)C(=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 C27H20Br2N2O7 MW 644.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Br2N2O7/c1-2-37-19-9-7-18(8-10-19)31-25(33)20(24(32)30-27(31)36)11-16-12-21(28)23(22(29)13-16)38-14-15-3-5-17(6-4-15)26(34)35/h3-13H,2,14H2,1H3,(H,34,35)(H,30,32,36)/b20-11+
InChIKey
HLSFDKVTAWHPSJ-RGVLZGJSSA-N
Synonyms

4((26dibromo4((E)(1(4ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
4((26DIBROMO4((E)(1(4ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)C(=O)O)Br)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Br)c(c(c2)Br)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC27H20Br2N2O7c1237199718(81019)3125(33)20(24(32)3027(31)36)11161221(28)23(22(29)1316)3814153517(6415)26(34)35h313H214H21H3(H3435)(H303236)b2011+
MFCD02084984
ZINC000150343121
ZINC150343121

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Available files

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