Vitas-M small molecule compound
decyl 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
STK268681
SMILES CCCCCCCCCCOC(=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 C35H36BrNO4 MW 614.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36BrNO4/c1-2-3-4-5-6-7-8-13-22-41-34(40)23-18-20-24(21-19-23)37-32(38)30-29-25-14-9-11-16-27(25)35(36,31(30)33(37)39)28-17-12-10-15-26(28)29/h9-12,14-21,29-31H,2-8,13,22H2,1H3InChIKey
TURRGDBRPLVPPO-UHFFFAOYSA-NSynonyms
CCCCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
decyl4(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC35H36BrNO4c1234567813224134(40)23182024(211923)3732(38)302925149111627(25)35(3631(30)33(37)39)281712101526(28)29h91214212931H281322H21H3
MFCD01174893
ZINC000008449657
ZINC000008449663
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