Vitas-M small molecule compound
7-(3,4-dimethylphenyl)-3-(3-nitrophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Catalog ID
STK589870
SMILES O=C1CC2(C(=O)N1c1ccc(c(c1)C)C)ON=C(C2)c1cccc(c1)[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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-12-6-7-15(8-13(12)2)22-18(24)11-20(19(22)25)10-17(21-28-20)14-4-3-5-16(9-14)23(26)27/h3-9H,10-11H2,1-2H3InChIKey
DFNFDZCBROLNTF-UHFFFAOYSA-NSynonyms
879444-38-97(34dimethylphenyl)3(3nitrophenyl)1oxa27diazaspiro(44)non2ene68dione
8(34DIMETHYLPHENYL)2(3NITROPHENYL)4OXA38DIAZASPIRO(44)NON2ENE79DIONE
879444389
CC1=C(C=C(C=C1)N2C(=O)CC3(C2=O)CC(=NO3)C4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC20H17N3O5c1126715(813(12)2)2218(24)1120(19(22)25)1017(212820)1443516(914)23(26)27h39H1011H212H3
MFCD06782993
O=C1CC2(C(=O)N1c1ccc(c(c1)C)C)ON=C(C2)c1cccc(c1)(N+)(=O)(O)
ZINC000005324506
ZINC000005324507
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