Vitas-M small molecule compound
2-(4-bromophenyl)-2-oxoethyl 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)propanoate (non-preferred name)
Catalog ID
STK274668
SMILES O=C(C(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C)OCC(=O)c1ccc(cc1)Br
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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 C29H22BrNO5 MW 544.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrNO5/c1-15(29(35)36-14-22(32)16-10-12-17(30)13-11-16)31-27(33)25-23-18-6-2-3-7-19(18)24(26(25)28(31)34)21-9-5-4-8-20(21)23/h2-13,15,23-26H,14H2,1H3InChIKey
DJPGVJKJACQEFX-UHFFFAOYSA-NSynonyms
2(4bromophenyl)2oxoethyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)propanoate(nonpreferredname)
CC(C(=O)OCC(=O)C1=CC=C(C=C1)Br)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC29H22BrNO5c115(29(35)361422(32)16101217(30)131116)3127(33)252318623719(18)24(26(25)28(31)34)21954820(21)23h213152326H14H21H3
MFCD02915842
ZINC000000991758
ZINC000229881671
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