Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl (1,8-dibromo-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
STK268795
SMILES COc1ccc(cc1)C(=O)COC(=O)CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)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 C29H21Br2NO6 MW 639.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Br2NO6/c1-37-17-12-10-16(11-13-17)22(33)15-38-23(34)14-32-26(35)24-25(27(32)36)29(31)19-7-3-2-6-18(19)28(24,30)20-8-4-5-9-21(20)29/h2-13,24-25H,14-15H2,1H3InChIKey
IXFWYROAVGFDMM-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)2oxoethyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
COC1=CC=C(C=C1)C(=O)COC(=O)CN2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC29H21Br2NO6c13717121016(111317)22(33)153823(34)143226(35)2425(27(32)36)29(31)19732618(19)28(2430)20845921(20)29h2132425H1415H21H3
MFCD01362210
ZINC000098050588
ZINC000098050590
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