Vitas-M small molecule compound
methyl 4-(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)benzoate (non-preferred name)
Catalog ID
STK281017
SMILES COC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(C(=O)C)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 C28H21NO5 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21NO5/c1-15(30)28-20-9-5-3-7-18(20)22(19-8-4-6-10-21(19)28)23-24(28)26(32)29(25(23)31)17-13-11-16(12-14-17)27(33)34-2/h3-14,22-24H,1-2H3InChIKey
ACAWDZHRQUIIGB-UHFFFAOYSA-NSynonyms
CC(=O)C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)OC
InChI=1SC28H21NO5c115(30)2820953718(20)22(198461021(19)28)2324(28)26(32)29(25(23)31)17131116(121417)27(33)342h3142224H12H3
methyl4(1acetyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01571688
ZINC000000708032
ZINC000000708035
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Check stock on Vitas-MAvailable files
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