Vitas-M small molecule compound
octyl 4-(1-bromo-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
STK268680
SMILES CCCCCCCCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)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 C33H32BrNO4 MW 586.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32BrNO4/c1-2-3-4-5-6-11-20-39-32(38)21-16-18-22(19-17-21)35-30(36)28-27-23-12-7-9-14-25(23)33(34,29(28)31(35)37)26-15-10-8-13-24(26)27/h7-10,12-19,27-29H,2-6,11,20H2,1H3InChIKey
IXEJZFPSIBKLLU-UHFFFAOYSA-NSynonyms
CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC33H32BrNO4c12345611203932(38)21161822(191721)3530(36)28272312791425(23)33(3429(28)31(35)37)26151081324(26)27h71012192729H261120H21H3
MFCD01174892
octyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000098050466
ZINC000098050469
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