Vitas-M small molecule compound
pentadecyl 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
STK268717
SMILES CCCCCCCCCCCCCCCOC(=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 C40H46BrNO4 MW 684.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H46BrNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-46-39(45)28-20-19-21-29(27-28)42-37(43)35-34-30-22-14-16-24-32(30)40(41,36(35)38(42)44)33-25-17-15-23-31(33)34/h14-17,19-25,27,34-36H,2-13,18,26H2,1H3InChIKey
BXYLRQYFQPPSFG-UHFFFAOYSA-NSynonyms
CCCCCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC40H46BrNO4c1234567891011121318264639(45)2820192129(2728)4237(43)3534302214162432(30)40(4136(35)38(42)44)332517152331(33)34h14171925273436H2131826H21H3
MFCD01179519
pentadecyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000008426313
ZINC000008426323
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