Vitas-M small molecule compound
dodecyl 4-(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
STK268682
SMILES CCCCCCCCCCCCOC(=O)c1ccc(cc1)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 C37H40BrNO4 MW 642.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H40BrNO4/c1-2-3-4-5-6-7-8-9-10-15-24-43-36(42)25-20-22-26(23-21-25)39-34(40)32-31-27-16-11-13-18-29(27)37(38,33(32)35(39)41)30-19-14-12-17-28(30)31/h11-14,16-23,31-33H,2-10,15,24H2,1H3InChIKey
KZBSIQYRHUYJBS-UHFFFAOYSA-NSynonyms
CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
dodecyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC37H40BrNO4c1234567891015244336(42)25202226(232125)3934(40)3231271611131829(27)37(3833(32)35(39)41)301914121728(30)31h111416233133H2101524H21H3
MFCD01174894
ZINC000098050470
ZINC000098050473
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