Vitas-M small molecule compound

cyclohexyl 2-(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)-3-methylbutanoate (non-preferred name)

Catalog ID
STK268604
SMILES CC(C(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)OC1CCCCC1)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 C29H31NO4 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO4/c1-16(2)26(29(33)34-17-10-4-3-5-11-17)30-27(31)24-22-18-12-6-7-13-19(18)23(25(24)28(30)32)21-15-9-8-14-20(21)22/h6-9,12-17,22-26H,3-5,10-11H2,1-2H3
InChIKey
WWYBIZOJBKCRET-UHFFFAOYSA-N
Synonyms

CC(C)C(C(=O)OC1CCCCC1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
cyclohexyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)3methylbutanoate(nonpreferredname)
InChI=1SC29H31NO4c116(2)26(29(33)3417104351117)3027(31)24221812671319(18)23(25(24)28(30)32)2115981420(21)22h6912172226H351011H212H3
MFCD01174712
ZINC000004174831
ZINC000018083913

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Available files

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