Vitas-M small molecule compound
2-nitrophenyl 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)propanoate (non-preferred name)
Catalog ID
STK264575
SMILES O=C(Oc1ccccc1[N+](=O)[O-])CCN1C(=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 C27H20N2O6 MW 468.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O6/c30-21(35-20-12-6-5-11-19(20)29(33)34)13-14-28-26(31)24-22-15-7-1-2-8-16(15)23(25(24)27(28)32)18-10-4-3-9-17(18)22/h1-12,22-25H,13-14H2InChIKey
YNGCQFNHADZRJL-UHFFFAOYSA-NSynonyms
2nitrophenyl3(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)propanoate(nonpreferredname)
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCC(=O)OC6=CC=CC=C6(N+)(=O)(O)
InChI=1SC27H20N2O6c3021(352012651119(20)29(33)34)13142826(31)242215712816(15)23(25(24)27(28)32)181043917(18)22h1122225H1314H2
MFCD06002157
O=C(Oc1ccccc1(N+)(=O)(O))CCN1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
ZINC000001076780
ZINC000017920395
Check stock
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