Vitas-M small molecule compound

3,3-dimethyl-2-oxobutyl 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)-4-methylpentanoate (non-preferred name)

Catalog ID
STK258342
SMILES CC(CC(N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3)C(=O)OCC(=O)C(C)(C)C)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 C30H33NO5 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO5/c1-16(2)14-21(29(35)36-15-22(32)30(3,4)5)31-27(33)25-23-17-10-6-7-11-18(17)24(26(25)28(31)34)20-13-9-8-12-19(20)23/h6-13,16,21,23-26H,14-15H2,1-5H3
InChIKey
BYEXFDFSTFLUGE-UHFFFAOYSA-N
Synonyms

33dimethyl2oxobutyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)4methylpentanoate(nonpreferredname)
CC(C)CC(C(=O)OCC(=O)C(C)(C)C)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI=1SC30H33NO5c116(2)1421(29(35)361522(32)30(34)5)3127(33)25231710671118(17)24(26(25)28(31)34)2013981219(20)23h61316212326H1415H215H3
MFCD03835761
ZINC000013856072
ZINC000035877326

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Available files

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