Vitas-M small molecule compound
2-(1-bromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid (non-preferred name)
Catalog ID
STK268698
SMILES OC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3
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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 C25H16BrNO4 MW 474.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrNO4/c26-25-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)25)20-21(25)23(29)27(22(20)28)18-12-6-3-9-15(18)24(30)31/h1-12,19-21H,(H,30,31)InChIKey
NSVDRYODDBNTFR-UHFFFAOYSA-NSynonyms
2(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=CC=C6C(=O)O
InChI=1SC25H16BrNO4c2625161041713(16)19(148251117(14)25)2021(25)23(29)27(22(20)28)181263915(18)24(30)31h1121921H(H3031)
MFCD01179494
ZINC000002060708
ZINC000002060711
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