Vitas-M small molecule compound
3-{acetyl[(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)methyl]amino}benzoic acid (non-preferred name)
Catalog ID
STL570856
SMILES CC(=O)N(c1cccc(c1)C(=O)O)CN1C(=O)C2C(C1=O)C1c3c(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 C28H22N2O5 MW 466.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5/c1-15(31)29(17-8-6-7-16(13-17)28(34)35)14-30-26(32)24-22-18-9-2-3-10-19(18)23(25(24)27(30)33)21-12-5-4-11-20(21)22/h2-13,22-25H,14H2,1H3,(H,34,35)InChIKey
XQZFMJNHUWOBMV-UHFFFAOYSA-NSynonyms
3(acetyl((1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)methyl)amino)benzoicacid(nonpreferredname)
3(acetyl((1618dioxo17azapentacyclo(665027091401519)nonadeca24691113hexaen17yl)methyl)amino)benzoicacid
43883188
InChI=1SC28H22N2O5c115(31)29(1786716(1317)28(34)35)143026(32)2422189231019(18)23(25(24)27(30)33)2112541120(21)22h2132225H14H21H3(H3435)
MFCD00316666
ZINC000020096167
ZINC000020096171
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