Vitas-M small molecule compound
2-(2-chloro-5-nitrophenyl)-4,7-dimethyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STL387188
SMILES O=C1C2C(C(=O)N1c1cc(ccc1Cl)[N+](=O)[O-])C1(OC2(C)C=C1)C
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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 C16H13ClN2O5 MW 348.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O5/c1-15-5-6-16(2,24-15)12-11(15)13(20)18(14(12)21)10-7-8(19(22)23)3-4-9(10)17/h3-7,11-12H,1-2H3InChIKey
DFYDYSYNJFIXSK-UHFFFAOYSA-NSynonyms
2(2chloro5nitrophenyl)47dimethyl3a477atetrahydro1H47epoxyisoindole13(2H)dione
2(2chloro5nitrophenyl)47dimethyl3a7adihydrooctahydro1H47epoxyisoindole13dione
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C
InChI=1SC16H13ClN2O5c1155616(22415)1211(15)13(20)18(14(12)21)1078(19(22)23)349(10)17h371112H12H3
MFCD02276800
O=C1C2C(C(=O)N1c1cc(ccc1Cl)(N+)(=O)(O))C1(OC2(C)C=C1)C
ZINC000032116960
ZINC000104572099
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