Vitas-M small molecule compound

4-benzylphenyl 3-(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
STK286472
SMILES O=C1N(c2cccc(c2)C(=O)Oc2ccc(cc2)Cc2ccccc2)C(=O)C2C1C1c3ccccc3C2c2c1cccc2

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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 C38H27NO4 MW 561.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H27NO4/c40-36-34-32-28-13-4-5-14-29(28)33(31-16-7-6-15-30(31)32)35(34)37(41)39(36)26-12-8-11-25(22-26)38(42)43-27-19-17-24(18-20-27)21-23-9-2-1-3-10-23/h1-20,22,32-35H,21H2
InChIKey
DDNRNBIKVQURLY-UHFFFAOYSA-N
Synonyms

4benzylphenyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
C1=CC=C(C=C1)CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)N4C(=O)C5C(C4=O)C6C7=CC=CC=C7C5C8=CC=CC=C68
InChI=1SC38H27NO4c403634322813451429(28)33(3116761530(31)32)35(34)37(41)39(36)261281125(2226)38(42)4327191724(182027)212392131023h120223235H21H2
MFCD03576979
ZINC000097948286
ZINC000097948288

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Available files

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