Vitas-M small molecule compound
5-[(4-{(E)-[1-(3-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)methyl]furan-2-carboxylic acid
Catalog ID
STK213587
SMILES CCOc1cc(ccc1OCc1ccc(o1)C(=O)O)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1)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 C25H19BrN2O8 MW 555.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN2O8/c1-2-34-21-11-14(6-8-19(21)35-13-17-7-9-20(36-17)24(31)32)10-18-22(29)27-25(33)28(23(18)30)16-5-3-4-15(26)12-16/h3-12H,2,13H2,1H3,(H,31,32)(H,27,29,33)/b18-10+InChIKey
ZBFMTCJAUBTUTJ-VCHYOVAHSA-NSynonyms
5((4((E)(1(3BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLICACID
5((4((E)(1(3BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)OCC4=CC=C(O4)C(=O)O
CCOc1cc(ccc1OCc1ccc(o1)C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Br
InChI=1SC25H19BrN2O8c1234211114(6819(21)3513177920(3617)24(31)32)101822(29)2725(33)28(23(18)30)1653415(26)1216h312H213H21H3(H3132)(H272933)b1810+
MFCD08672219
ZINC000097961740
ZINC97961740
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