Vitas-M small molecule compound
2-chloro-5-(1,8-dibromo-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
STK264405
SMILES O=C1N(c2ccc(c(c2)C(=O)O)Cl)C(=O)C2C1C1(Br)c3c(C2(Br)c2c1cccc2)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 C25H14Br2ClNO4 MW 587.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H14Br2ClNO4/c26-24-14-5-1-2-6-15(14)25(27,17-8-4-3-7-16(17)24)20-19(24)21(30)29(22(20)31)12-9-10-18(28)13(11-12)23(32)33/h1-11,19-20H,(H,32,33)InChIKey
NJTWXQRXQHUBRI-UHFFFAOYSA-NSynonyms
2chloro5(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(=O)O)Br
InChI=1SC25H14Br2ClNO4c262414512615(14)25(2717843716(17)24)2019(24)21(30)29(22(20)31)1291018(28)13(1112)23(32)33h1111920H(H3233)
MFCD01460594
ZINC000002189924
ZINC000002189927
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