Vitas-M small molecule compound
propyl 2-(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)-4-methylpentanoate (non-preferred name)
Catalog ID
STK252916
SMILES CCCOC(=O)C(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)CC(C)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-4-13-32-27(31)20(14-15(2)3)28-25(29)23-21-16-9-5-6-10-17(16)22(24(23)26(28)30)19-12-8-7-11-18(19)21/h5-12,15,20-24H,4,13-14H2,1-3H3InChIKey
ZUFHIOAKUMZURY-UHFFFAOYSA-NSynonyms
CCCOC(=O)C(CC(C)C)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI=1SC27H29NO4c14133227(31)20(1415(2)3)2825(29)2321169561017(16)22(24(23)26(28)30)1912871118(19)21h512152024H41314H213H3
MFCD02319397
propyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)4methylpentanoate(nonpreferredname)
ZINC000010041374
ZINC000018206789
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