Vitas-M small molecule compound
2-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK311505
SMILES O=C1N(c2cc(Oc3ccc(c(c3)C)Cl)cc(c2)[N+](=O)[O-])C(=O)C2C1C1CCC2O1
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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 C21H17ClN2O6 MW 428.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6/c1-10-6-13(2-3-15(10)22)29-14-8-11(7-12(9-14)24(27)28)23-20(25)18-16-4-5-17(30-16)19(18)21(23)26/h2-3,6-9,16-19H,4-5H2,1H3InChIKey
HCVVJGLGZKTONX-UHFFFAOYSA-NSynonyms
1052567-14-21052567142
2(3(4chloro3methylphenoxy)5nitrophenyl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(3(4chloro3methylphenoxy)5nitrophenyl)hexahydro1H47epoxyisoindole13(2H)dione
CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4C5CCC(C4C3=O)O5)Cl
InChI=1SC21H17ClN2O6c110613(2315(10)22)2914811(712(914)24(27)28)2320(25)18164517(3016)19(18)21(23)26h23691619H45H21H3
MFCD04138072
O=C1N(c2cc(Oc3ccc(c(c3)C)Cl)cc(c2)(N+)(=O)(O))C(=O)C2C1C1CCC2O1
ZINC000226739109
ZINC000245325680
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