Vitas-M small molecule compound
3-[(1,4,5,6-tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-yl)carbonyl]-1,3-benzoxazol-2(3H)-one
Catalog ID
STL147019
SMILES COC1(OC)C2(Cl)C(=C(C1(Cl)CC2C(=O)n1c(=O)oc2c1cccc2)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 C17H13Cl4NO5 MW 453.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl4NO5/c1-25-17(26-2)15(20)7-8(16(17,21)12(19)11(15)18)13(23)22-9-5-3-4-6-10(9)27-14(22)24/h3-6,8H,7H2,1-2H3InChIKey
MTSGMNVZCQREMW-UHFFFAOYSA-NSynonyms
3((1456tetrachloro77dimethoxybicyclo(221)hept5en2yl)carbonyl)13benzoxazol2(3H)one
3((1S2S4R)1456tetrachloro77dimethoxybicyclo(221)hept5ene2carbonyl)benzo(d)oxazol2(3H)one
3(1234tetrachloro77dimethoxybicyclo(221)hept2ene5carbonyl)13benzoxazol2one
COC1(C2(CC(C1(C(=C2Cl)Cl)Cl)C(=O)N3C4=CC=CC=C4OC3=O)Cl)OC
COC1(OC)C2(Cl)C(=C(C1(Cl)C(C@H)2C(=O)n1c(=O)oc2c1cccc2)Cl)Cl
InChI=1SC17H13Cl4NO5c12517(262)15(20)78(16(1721)12(19)11(15)18)13(23)229534610(9)2714(22)24h368H7H212H3
MFCD00779188
ZINC000100708820
ZINC000106805718
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