Vitas-M small molecule compound
4-(5-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Catalog ID
STK170734
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2C)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 C23H15BrN2O6 MW 495.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15BrN2O6/c1-12-10-13(22(29)30)2-8-17(12)19-9-7-16(32-19)11-18-20(27)25-23(31)26(21(18)28)15-5-3-14(24)4-6-15/h2-11H,1H3,(H,29,30)(H,25,27,31)/b18-11+InChIKey
MXZRIRPUFHVWCU-WOJGMQOQSA-NSynonyms
4(5((E)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
4(5((E)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)3METHYLBENZOICACID
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2C)C(=O)O)C1=O
CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br
InChI=1SC23H15BrN2O6c1121013(22(29)30)2817(12)199716(3219)111820(27)2523(31)26(21(18)28)155314(24)4615h211H1H3(H2930)(H252731)b1811+
MFCD02624284
ZINC000014010747
ZINC14010747
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