Vitas-M small molecule compound
2-tert-butyl-N-(2-chloro-4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
Catalog ID
STK156358
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)C(C)(C)C)Nc1ccc(cc1Cl)[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 C19H16ClN3O5 MW 401.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O5/c1-19(2,3)22-17(25)12-6-4-10(8-13(12)18(22)26)16(24)21-15-7-5-11(23(27)28)9-14(15)20/h4-9H,1-3H3,(H,21,24)InChIKey
QNERBQNFLYWXMX-UHFFFAOYSA-NSynonyms
2TERTBUTYLN(2CHLORO4NITROPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXAMIDE
2TERTBUTYLN(2CHLORO4NITROPHENYL)13DIOXOISOINDOLE5CARBOXAMIDE
CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC19H16ClN3O5c119(23)2217(25)126410(813(12)18(22)26)16(24)21157511(23(27)28)914(15)20h49H13H3(H2124)
MFCD01797475
O=C(c1ccc2c(c1)C(=O)N(C2=O)C(C)(C)C)Nc1ccc(cc1Cl)(N+)(=O)(O)
ZINC000004695705
ZINC04695705
ZINC4695705
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