Vitas-M small molecule compound
2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(4-nitrophenyl)propanamide
Catalog ID
STK383065
SMILES CC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
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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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-9(18(24)21-10-2-4-11(5-3-10)23(27)28)22-19(25)16-12-6-7-13(15-8-14(12)15)17(16)20(22)26/h2-7,9,12-17H,8H2,1H3,(H,21,24)InChIKey
VAEDPFZZMBPTFT-UHFFFAOYSA-NSynonyms
2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)N(4nitrophenyl)propanamide
CC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
CC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H19N3O5c19(18(24)21102411(5310)23(27)28)2219(25)16126713(15814(12)15)17(16)20(22)26h2791217H8H21H3(H2124)
MFCD03103894
ZINC000239425690
ZINC000239425693
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