Vitas-M small molecule compound
4-(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)-2-nitrophenyl acetate (non-preferred name)
Catalog ID
STL384365
SMILES CC(=O)Oc1ccc(cc1[N+](=O)[O-])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 C26H18N2O6 MW 454.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N2O6/c1-13(29)34-20-11-10-14(12-19(20)28(32)33)27-25(30)23-21-15-6-2-3-7-16(15)22(24(23)26(27)31)18-9-5-4-8-17(18)21/h2-12,21-24H,1H3InChIKey
SSIXPDPBJDHGKF-UHFFFAOYSA-NSynonyms
4(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)2nitrophenylacetate(nonpreferredname)
CC(=O)OC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1(N+)(=O)(O))N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
InChI=1SC26H18N2O6c113(29)3420111014(1219(20)28(32)33)2725(30)232115623716(15)22(24(23)26(27)31)18954817(18)21h2122124H1H3
MFCD03558460
ZINC000001115886
ZINC000018084545
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