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)-3-methylbutanoate (non-preferred name)
Catalog ID
STK268481
SMILES CC(C(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)OCC(=O)c1ccc(cc1)Br)C
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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 C31H26BrNO5 MW 572.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26BrNO5/c1-16(2)28(31(37)38-15-23(34)17-11-13-18(32)14-12-17)33-29(35)26-24-19-7-3-4-8-20(19)25(27(26)30(33)36)22-10-6-5-9-21(22)24/h3-14,16,24-28H,15H2,1-2H3InChIKey
PBOQVJKUYRTHOG-UHFFFAOYSA-NSynonyms
2(4bromophenyl)2oxoethyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)3methylbutanoate(nonpreferredname)
CC(C)C(C(=O)OCC(=O)C1=CC=C(C=C1)Br)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC31H26BrNO5c116(2)28(31(37)381523(34)17111318(32)141217)3329(35)262419734820(19)25(27(26)30(33)36)221065921(22)24h314162428H15H212H3
MFCD01210234
ZINC000004173898
ZINC000230012070
ZINC04173901
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