Vitas-M small molecule compound
heptyl 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
STK268130
SMILES CCCCCCCOC(=O)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 C31H37NO4 MW 487.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO4/c1-2-3-4-5-13-20-36-25(33)18-7-6-12-19-32-30(34)28-26-21-14-8-9-15-22(21)27(29(28)31(32)35)24-17-11-10-16-23(24)26/h8-11,14-17,26-29H,2-7,12-13,18-20H2,1H3InChIKey
MWCXDQGOTDUJMF-UHFFFAOYSA-NSynonyms
CCCCCCCOC(=O)CCCCCN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
heptyl6(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)hexanoate(nonpreferredname)
InChI=1SC31H37NO4c1234513203625(33)187612193230(34)28262114891522(21)27(29(28)31(32)35)241711101623(24)26h81114172629H2712131820H21H3
MFCD01062766
ZINC000098045414
ZINC000098045416
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