Vitas-M small molecule compound
ethyl 4-(1-formyl-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
STK264392
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(C=O)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/c1-2-34-27(33)16-11-13-17(14-12-16)29-25(31)23-22-18-7-3-5-9-20(18)28(15-30,24(23)26(29)32)21-10-6-4-8-19(21)22/h3-15,22-24H,2H2,1H3InChIKey
CDBKIMZFJKVALI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C=O
ethyl4(1formyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC28H21NO5c123427(33)16111317(141216)2925(31)232218735920(18)28(153024(23)26(29)32)211064819(21)22h3152224H2H21H3
MFCD01242053
ZINC000000653550
ZINC000000653554
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