Vitas-M small molecule compound
pentadecyl 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)benzoate (non-preferred name)
Catalog ID
STK268765
SMILES CCCCCCCCCCCCCCCOC(=O)c1ccccc1N1C(=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 C40H47NO4 MW 605.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-45-40(44)32-25-18-19-26-33(32)41-38(42)36-34-28-21-14-15-22-29(28)35(37(36)39(41)43)31-24-17-16-23-30(31)34/h14-19,21-26,34-37H,2-13,20,27H2,1H3InChIKey
FRZVDVUBNUZSQZ-UHFFFAOYSA-NSynonyms
CCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI=1SC40H47NO4c1234567891011121320274540(44)322518192633(32)4138(42)3634282114152229(28)35(37(36)39(41)43)312417162330(31)34h141921263437H2132027H21H3
MFCD01362143
pentadecyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
ZINC000097948833
ZINC000097948835
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