Vitas-M small molecule compound
3-methylbutyl 4-(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
STK369012
SMILES CC(CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C
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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 C30H27NO4 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO4/c1-17(2)15-16-35-30(34)18-11-13-19(14-12-18)31-28(32)26-24-20-7-3-4-8-21(20)25(27(26)29(31)33)23-10-6-5-9-22(23)24/h3-14,17,24-27H,15-16H2,1-2H3InChIKey
YEEGQAOMHDUUER-UHFFFAOYSA-NSynonyms
3methylbutyl4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CC(C)CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC30H27NO4c117(2)15163530(34)18111319(141218)3128(32)262420734821(20)25(27(26)29(31)33)231065922(23)24h314172427H1516H212H3
MFCD00320922
ZINC000004017278
ZINC000018081610
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