Vitas-M small molecule compound
ethyl 4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Catalog ID
STL094848
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)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 C20H19ClN2O4 MW 386.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O4/c1-3-26-18(24)12-4-7-14(8-5-12)23-19(25)22-16-11-20(23,2)27-17-9-6-13(21)10-15(16)17/h4-10,16H,3,11H2,1-2H3,(H,22,25)InChIKey
GCSZSUAACWSAKM-UHFFFAOYSA-NSynonyms
899986-50-6899986506
CCOC(=O)C1=CC=C(C=C1)N2C(=O)NC3CC2(OC4=C3C=C(C=C4)Cl)C
ethyl4(8chloro2methyl4oxo56dihydro2H26methano135benzoxadiazocin3(4H)yl)benzoate
ETHYL4(8CHLORO2METHYL4OXO56DIHYDRO2H26METHANOBENZO(G)(135)OXADIAZOCIN3(4H)YL)BENZOATE
InChI=1SC20H19ClN2O4c132618(24)124714(8512)2319(25)22161120(232)27179613(21)1015(16)17h41016H311H212H3(H2225)
MFCD07650945
ZINC000101084876
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