Vitas-M small molecule compound
ethyl (2-bromo-4-{(Z)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170340
SMILES CCOC(=O)COc1ccc(cc1Br)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
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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/c1-3-31-19(26)12-32-18-9-4-13(11-17(18)23)10-16-20(27)24-22(29)25(21(16)28)14-5-7-15(30-2)8-6-14/h4-11H,3,12H2,1-2H3,(H,24,27,29)/b16-10-InChIKey
KELDUEODCRSQBD-YBEGLDIGSA-NSynonyms
347394-41-6347394416
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC)Br
CCOC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
ETHYL(2BROMO4((Z)(1(4METHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2BROMO4((Z)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H19BrN2O7c133119(26)1232189413(1117(18)23)101620(27)2422(29)25(21(16)28)145715(302)8614h411H312H212H3(H242729)b1610
MFCD02623675
ZINC000014010675
ZINC14010675
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