Vitas-M small molecule compound
methyl 5-(1-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)-2-chlorobenzoate (non-preferred name)
Catalog ID
STK279106
SMILES COC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(C(=O)C)c3c(C2c2c1cccc2)cccc3
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H20ClNO5 MW 485.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClNO5/c1-14(31)28-19-9-5-3-7-16(19)22(17-8-4-6-10-20(17)28)23-24(28)26(33)30(25(23)32)15-11-12-21(29)18(13-15)27(34)35-2/h3-13,22-24H,1-2H3InChIKey
WYNGUAATYHVXBK-UHFFFAOYSA-NSynonyms
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)C(=O)OC
InChI=1SC28H20ClNO5c114(31)2819953716(19)22(178461020(17)28)2324(28)26(33)30(25(23)32)15111221(29)18(1315)27(34)352h3132224H12H3
methyl5(1acetyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)2chlorobenzoate(nonpreferredname)
MFCD01802309
ZINC000001091367
ZINC000001091370
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