Vitas-M small molecule compound
17-(4-methyl-2-nitrophenyl)-1-nitro-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK362898
SMILES Cc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1([N+](=O)[O-])c3c(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 C25H17N3O6 MW 455.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O6/c1-13-10-11-18(19(12-13)27(31)32)26-23(29)21-20-14-6-2-4-8-16(14)25(28(33)34,22(21)24(26)30)17-9-5-3-7-15(17)20/h2-12,20-22H,1H3InChIKey
WURBJLBPLOISAE-UHFFFAOYSA-NSynonyms
17(4methyl2nitrophenyl)1nitro17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=CC(=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1((N+)(=O)(O))c3c(C2c2c1cccc2)cccc3
InChI=1SC25H17N3O6c113101118(19(1213)27(31)32)2623(29)212014624816(14)25(28(33)3422(21)24(26)30)17953715(17)20h2122022H1H3
MFCD03649669
ZINC000015945337
ZINC000015945342
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