Vitas-M small molecule compound
4-({[6-(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)hexanoyl]oxy}acetyl)phenyl 4-bromobenzoate (non-preferred name)
Catalog ID
STK286794
SMILES O=C(OCC(=O)c1ccc(cc1)OC(=O)c1ccc(cc1)Br)CCCCCN1C(=O)C2C(C1=O)C1c3c(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 C39H32BrNO7 MW 706.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H32BrNO7/c40-25-17-13-24(14-18-25)39(46)48-26-19-15-23(16-20-26)31(42)22-47-32(43)12-2-1-7-21-41-37(44)35-33-27-8-3-4-9-28(27)34(36(35)38(41)45)30-11-6-5-10-29(30)33/h3-6,8-11,13-20,33-36H,1-2,7,12,21-22H2InChIKey
LMOPMMBAUJYWPV-UHFFFAOYSA-NSynonyms
4(((6(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoyl)oxy)acetyl)phenyl4bromobenzoate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCCCCC(=O)OCC(=O)C6=CC=C(C=C6)OC(=O)C7=CC=C(C=C7)Br
InChI=1SC39H32BrNO7c4025171324(141825)39(46)4826191523(162026)31(42)224732(43)12217214137(44)353327834928(27)34(36(35)38(41)45)3011651029(30)33h3681113203336H127122122H2
MFCD03900824
ZINC000097949271
ZINC000097949273
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