Vitas-M small molecule compound

2-methylpropyl 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)hexanoate (non-preferred name)

Catalog ID
STK268127
SMILES CC(COC(=O)CCCCCN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C

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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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-17(2)16-33-22(30)14-4-3-9-15-29-27(31)25-23-18-10-5-6-11-19(18)24(26(25)28(29)32)21-13-8-7-12-20(21)23/h5-8,10-13,17,23-26H,3-4,9,14-16H2,1-2H3
InChIKey
NBIZDFQEVMBBQY-UHFFFAOYSA-N
Synonyms

2methylpropyl6(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoate(nonpreferredname)
CC(C)COC(=O)CCCCCN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI=1SC28H31NO4c117(2)163322(30)14439152927(31)25231810561119(18)24(26(25)28(29)32)2113871220(21)23h581013172326H3491416H212H3
MFCD01062758
ZINC000002062940
ZINC000018246892

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.