Vitas-M small molecule compound
ethyl (2-bromo-4-{(Z)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)acetate
Catalog ID
STK170362
SMILES CCOC(=O)COc1ccc(cc1Br)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
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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 C23H21BrN2O6 MW 501.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O6/c1-3-14-5-8-16(9-6-14)26-22(29)17(21(28)25-23(26)30)11-15-7-10-19(18(24)12-15)32-13-20(27)31-4-2/h5-12H,3-4,13H2,1-2H3,(H,25,28,30)/b17-11-InChIKey
YBEYQJLDWCQWLZ-BOPFTXTBSA-NSynonyms
423742-39-6423742396
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)OCC)Br)C(=O)NC2=O
CCOC(=O)COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)CC
ETHYL(2BROMO4((Z)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2BROMO4((Z)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC23H21BrN2O6c13145816(9614)2622(29)17(21(28)2523(26)30)111571019(18(24)1215)321320(27)3142h512H3413H212H3(H252830)b1711
MFCD02623920
ZINC000014010685
ZINC14010685
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