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 benzoate (non-preferred name)

Catalog ID
STK286796
SMILES O=C(OCC(=O)c1ccc(cc1)OC(=O)c1ccccc1)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 C39H33NO7 MW 627.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H33NO7/c41-31(24-18-20-26(21-19-24)47-39(45)25-11-3-1-4-12-25)23-46-32(42)17-5-2-10-22-40-37(43)35-33-27-13-6-7-14-28(27)34(36(35)38(40)44)30-16-9-8-15-29(30)33/h1,3-4,6-9,11-16,18-21,33-36H,2,5,10,17,22-23H2
InChIKey
JDKVWYWADMVMPU-UHFFFAOYSA-N
Synonyms

4(((6(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoyl)oxy)acetyl)phenylbenzoate(nonpreferredname)
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)CCCCCN3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC39H33NO7c4131(24182026(211924)4739(45)25113141225)234632(42)175210224037(43)35332713671428(27)34(36(35)38(40)44)3016981529(30)33h13469111618213336H2510172223H2
MFCD03941051
ZINC000097949000
ZINC000097949002

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Available files

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