Vitas-M small molecule compound
ethyl 4-(2-methyl-8-nitro-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoate
Catalog ID
STL094865
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)[N+](=O)[O-]
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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 C20H19N3O6 MW 397.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6/c1-3-28-18(24)12-4-6-13(7-5-12)22-19(25)21-16-11-20(22,2)29-17-9-8-14(23(26)27)10-15(16)17/h4-10,16H,3,11H2,1-2H3,(H,21,25)InChIKey
IVUORUUJBHGWRD-UHFFFAOYSA-NSynonyms
899986-58-4899986584
CCOC(=O)C1=CC=C(C=C1)N2C(=O)NC3CC2(OC4=C3C=C(C=C4)(N+)(=O)(O))C
CCOC(=O)c1ccc(cc1)N1C(=O)NC2CC1(C)Oc1c2cc(cc1)(N+)(=O)(O)
ethyl4(2methyl8nitro4oxo56dihydro2H26methano135benzoxadiazocin3(4H)yl)benzoate
ETHYL4(2METHYL8NITRO4OXO56DIHYDRO2H26METHANOBENZO(G)(135)OXADIAZOCIN3(4H)YL)BENZOATE
InChI=1SC20H19N3O6c132818(24)124613(7512)2219(25)21161120(222)29179814(23(26)27)1015(16)17h41016H311H212H3(H2125)
MFCD07650958
ZINC000101084981
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