Vitas-M small molecule compound
tridecyl 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
STK268716
SMILES CCCCCCCCCCCCCOC(=O)c1cccc(c1)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 C38H42BrNO4 MW 656.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H42BrNO4/c1-2-3-4-5-6-7-8-9-10-11-16-24-44-37(43)26-18-17-19-27(25-26)40-35(41)33-32-28-20-12-14-22-30(28)38(39,34(33)36(40)42)31-23-15-13-21-29(31)32/h12-15,17-23,25,32-34H,2-11,16,24H2,1H3InChIKey
LMYZYUUPRHAROB-UHFFFAOYSA-NSynonyms
CCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC38H42BrNO4c123456789101116244437(43)2618171927(2526)4035(41)3332282012142230(28)38(3934(33)36(40)42)312315132129(31)32h12151723253234H2111624H21H3
MFCD01179518
tridecyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000008426302
ZINC000008426311
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