Vitas-M small molecule compound
hexyl 3-(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
STK268688
SMILES CCCCCCOC(=O)c1cccc(c1)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 C31H28BrNO4 MW 558.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrNO4/c1-2-3-4-9-17-37-30(36)19-11-10-12-20(18-19)33-28(34)26-25-21-13-5-7-15-23(21)31(32,27(26)29(33)35)24-16-8-6-14-22(24)25/h5-8,10-16,18,25-27H,2-4,9,17H2,1H3InChIKey
VSMSSJBUMRBQDT-UHFFFAOYSA-NSynonyms
CCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
hexyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC31H28BrNO4c12349173730(36)1911101220(1819)3328(34)26252113571523(21)31(3227(26)29(33)35)2416861422(24)25h581016182527H24917H21H3
MFCD01174907
ZINC000002068318
ZINC000002068321
Check stock
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