Vitas-M small molecule compound
octyl 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
STK268713
SMILES CCCCCCCCOC(=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 C33H32BrNO4 MW 586.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32BrNO4/c1-2-3-4-5-6-11-19-39-32(38)21-13-12-14-22(20-21)35-30(36)28-27-23-15-7-9-17-25(23)33(34,29(28)31(35)37)26-18-10-8-16-24(26)27/h7-10,12-18,20,27-29H,2-6,11,19H2,1H3InChIKey
BACHBUFWVQVKNZ-UHFFFAOYSA-NSynonyms
CCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC33H32BrNO4c12345611193932(38)2113121422(2021)3530(36)28272315791725(23)33(3429(28)31(35)37)26181081624(26)27h7101218202729H261119H21H3
MFCD01179515
octyl3(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000002060805
ZINC000002060808
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