Vitas-M small molecule compound
(2Z)-N-(2,4-dinitrophenyl)-3-[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]prop-2-enamide
Catalog ID
STK382779
SMILES O=C(Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1
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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 C24H18N4O7 MW 474.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O7/c29-20(25-18-8-7-17(27(32)33)12-19(18)28(34)35)9-4-13-2-1-3-16(10-13)26-23(30)21-14-5-6-15(11-14)22(21)24(26)31/h1-10,12,14-15,21-22H,11H2,(H,25,29)/b9-4-InChIKey
DOFKZIWJZKIRRD-WTKPLQERSA-NSynonyms
(2Z)N(24dinitrophenyl)3(3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)phenyl)prop2enamide
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C=CC(=O)NC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC24H18N4O7c2920(25188717(27(32)33)1219(18)28(34)35)941321316(1013)2623(30)21145615(1114)22(21)24(26)31h1101214152122H11H2(H2529)b94
MFCD03649672
O=C(Nc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=Cc1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1
ZINC000102146988
ZINC000224795054
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