Vitas-M small molecule compound
octyl 3-(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)benzoate (non-preferred name)
Catalog ID
STK268468
SMILES CCCCCCCCOC(=O)c1cccc(c1)N1C(=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 C33H31Br2NO4 MW 665.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31Br2NO4/c1-2-3-4-5-6-11-19-40-31(39)21-13-12-14-22(20-21)36-29(37)27-28(30(36)38)33(35)24-16-8-7-15-23(24)32(27,34)25-17-9-10-18-26(25)33/h7-10,12-18,20,27-28H,2-6,11,19H2,1H3InChIKey
FKNUCDQOYWOGAT-UHFFFAOYSA-NSynonyms
CCCCCCCCOC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC33H31Br2NO4c12345611194031(39)2113121422(2021)3629(37)2728(30(36)38)33(35)2416871523(24)32(2734)25179101826(25)33h7101218202728H261119H21H3
MFCD01156499
octyl3(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000008449532
ZINC000008449566
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