Vitas-M small molecule compound
butyl 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
STK268706
SMILES CCCCOC(=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 C29H24BrNO4 MW 530.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24BrNO4/c1-2-3-16-35-28(34)17-12-14-18(15-13-17)31-26(32)24-23-19-8-4-6-10-21(19)29(30,25(24)27(31)33)22-11-7-5-9-20(22)23/h4-15,23-25H,2-3,16H2,1H3InChIKey
BEDMHDMZKFWSGI-UHFFFAOYSA-NSynonyms
butyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC29H24BrNO4c123163528(34)17121418(151317)3126(32)2423198461021(19)29(3025(24)27(31)33)221175920(22)23h4152325H2316H21H3
MFCD01179507
ZINC000002060724
ZINC000002060727
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