Vitas-M small molecule compound
2-(4-bromophenyl)-2-oxoethyl (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)acetate (non-preferred name)
Catalog ID
STK268640
SMILES O=C(CN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)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 C28H20BrNO5 MW 530.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrNO5/c29-16-11-9-15(10-12-16)21(31)14-35-22(32)13-30-27(33)25-23-17-5-1-2-6-18(17)24(26(25)28(30)34)20-8-4-3-7-19(20)23/h1-12,23-26H,13-14H2InChIKey
MTNWIYCEACWGGK-UHFFFAOYSA-NSynonyms
2(4bromophenyl)2oxoethyl(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)OCC(=O)C6=CC=C(C=C6)Br
InChI=1SC28H20BrNO5c291611915(101216)21(31)143522(32)133027(33)252317512618(17)24(26(25)28(30)34)20843719(20)23h1122326H1314H2
MFCD01174815
ZINC000000837183
ZINC000000837187
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