Vitas-M small molecule compound
4-(methoxycarbonyl)phenyl 3-(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
STK286473
SMILES COC(=O)c1ccc(cc1)OC(=O)c1cccc(c1)N1C(=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 C33H23NO6 MW 529.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23NO6/c1-39-32(37)18-13-15-21(16-14-18)40-33(38)19-7-6-8-20(17-19)34-30(35)28-26-22-9-2-3-10-23(22)27(29(28)31(34)36)25-12-5-4-11-24(25)26/h2-17,26-29H,1H3InChIKey
ZCUPEEVJHDNBPH-UHFFFAOYSA-NSynonyms
4(methoxycarbonyl)phenyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC33H23NO6c13932(37)18131521(161418)4033(38)1976820(1719)3430(35)2826229231023(22)27(29(28)31(34)36)2512541124(25)26h2172629H1H3
MFCD03576980
ZINC000097945493
ZINC000097945495
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