Vitas-M small molecule compound
2-(4-chloro-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280994
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1CCC2C=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 C16H13ClN2O4 MW 332.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O4/c17-10-5-6-11(12(7-10)19(22)23)18-15(20)13-8-1-2-9(4-3-8)14(13)16(18)21/h1-2,5-9,13-14H,3-4H2InChIKey
FTTYIIQZFIMMEO-UHFFFAOYSA-NSynonyms
2(4chloro2nitrophenyl)3a477atetrahydro1H47ethanoisoindole13(2H)dione
C1CC2C=CC1C3C2C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1CCC2C=C1
InChI=1SC16H13ClN2O4c17105611(12(710)19(22)23)1815(20)138129(438)14(13)16(18)21h12591314H34H2
MFCD01931475
ZINC000100185300
ZINC000101359792
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