Vitas-M small molecule compound
4-({2-bromo-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK170403
SMILES O=C1N(C)C(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)C(=O)O)C(=O)N1C
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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 C21H17BrN2O6 MW 473.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O6/c1-23-18(25)15(19(26)24(2)21(23)29)9-13-5-8-17(16(22)10-13)30-11-12-3-6-14(7-4-12)20(27)28/h3-10H,11H2,1-2H3,(H,27,28)InChIKey
FICBHMSLWHQMOA-UHFFFAOYSA-NSynonyms
4((2bromo4((13dimethyl246trioxo13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
4((2BROMO4((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)C(=O)N(C1=O)C
InChI=1SC21H17BrN2O6c12318(25)15(19(26)24(2)21(23)29)9135817(16(22)1013)3011123614(7412)20(27)28h310H11H212H3(H2728)
MFCD02628944
ZINC000009891793
ZINC9891793
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