Vitas-M small molecule compound
2-(5,6,7,8,10,10-hexachloro-1,3-dioxo-1,3,3a,4,4a,5,8,8a,9,9a-decahydro-2H-5,8-methanobenzo[f]isoindol-2-yl)ethyl acetate
Catalog ID
STL058941
SMILES CC(=O)OCCN1C(=O)C2C(C1=O)CC1C(C2)C2(Cl)C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl
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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 C17H15Cl6NO4 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15Cl6NO4/c1-6(25)28-3-2-24-13(26)7-4-9-10(5-8(7)14(24)27)16(21)12(19)11(18)15(9,20)17(16,22)23/h7-10H,2-5H2,1H3InChIKey
APTZOLMFKRXSGX-UHFFFAOYSA-NSynonyms
2((3aR4aR5R8S8aS9aS)56781010hexachloro13dioxo3a44a588a99aoctahydro1H58methanobenzo(f)isoindol2(3H)yl)ethylacetate
2(56781010hexachloro13dioxo133a44a588a99adecahydro2H58methanobenzo(f)isoindol2yl)ethylacetate
CC(=O)OCCN1C(=O)C2C(C1=O)C(C@@H)1C(C2)C2(Cl)C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl
CC(=O)OCCN1C(=O)C2CC3C(CC2C1=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI=1SC17H15Cl6NO4c16(25)28322413(26)74910(58(7)14(24)27)16(21)12(19)11(18)15(920)17(1622)23h710H25H21H3
MFCD00717401
ZINC000100708717
ZINC000245245156
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