Vitas-M small molecule compound
2-(biphenyl-4-yl)-2-oxoethyl 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
STK268690
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2c2c1cccc2)cccc3)OCC(=O)c1ccc(cc1)c1ccccc1
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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 C39H26BrNO5 MW 668.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H26BrNO5/c40-39-30-15-6-4-13-28(30)33(29-14-5-7-16-31(29)39)34-35(39)37(44)41(36(34)43)27-12-8-11-26(21-27)38(45)46-22-32(42)25-19-17-24(18-20-25)23-9-2-1-3-10-23/h1-21,33-35H,22H2InChIKey
RPXQKBYIXXCGGT-UHFFFAOYSA-NSynonyms
2(biphenyl4yl)2oxoethyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C(=O)C5C6C7=CC=CC=C7C(C5C4=O)(C8=CC=CC=C68)Br
InChI=1SC39H26BrNO5c40393015641328(30)33(2914571631(29)39)3435(39)37(44)41(36(34)43)271281126(2127)38(45)462232(42)25191724(182025)2392131023h1213335H22H2
MFCD01174911
ZINC000008449665
ZINC000008449673
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