Vitas-M small molecule compound
ethyl 2-(1,8-dimethyl-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
STK258074
SMILES CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)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 C29H25NO4 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO4/c1-4-34-27(33)17-11-5-10-16-22(17)30-25(31)23-24(26(30)32)29(3)20-14-8-6-12-18(20)28(23,2)19-13-7-9-15-21(19)29/h5-16,23-24H,4H2,1-3H3InChIKey
BQEQJAKHJTVAOO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C
ethyl2(18dimethyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC29H25NO4c143427(33)17115101622(17)3025(31)2324(26(30)32)29(3)2014861218(20)28(232)1913791521(19)29h5162324H4H213H3
MFCD01460775
ZINC000000707341
ZINC000018082811
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