Vitas-M small molecule compound
3-(1,8-dichloro-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
STK265438
SMILES O=C1N(c2cccc(c2)C(=O)O)C(=O)C2C1C1(Cl)c3c(C2(Cl)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 C25H15Cl2NO4 MW 464.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15Cl2NO4/c26-24-15-8-1-2-9-16(15)25(27,18-11-4-3-10-17(18)24)20-19(24)21(29)28(22(20)30)14-7-5-6-13(12-14)23(31)32/h1-12,19-20H,(H,31,32)InChIKey
GTTLNMLENJTLLX-UHFFFAOYSA-NSynonyms
3(18dichloro1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoicacid(nonpreferredname)
C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Cl)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Cl
InChI=1SC25H15Cl2NO4c262415812916(15)25(271811431017(18)24)2019(24)21(29)28(22(20)30)1475613(1214)23(31)32h1121920H(H3132)
MFCD06149159
ZINC000009525743
ZINC000009525746
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