Vitas-M small molecule compound
2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK711787
SMILES N#CC1=C(N)OC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CCC2
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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 C17H13N3O6 MW 355.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O6/c18-6-9-15(16-11(21)2-1-3-12(16)26-17(9)19)8-4-13-14(25-7-24-13)5-10(8)20(22)23/h4-5,15H,1-3,7,19H2InChIKey
GSJKHNKSVZLEAQ-UHFFFAOYSA-NSynonyms
315245-17-12AMINO4(6NITRO(2HBENZO(D)13DIOXOLAN5YL))5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino4(6nitro13benzodioxol5yl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(6nitro13benzodioxol5yl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(6nitrobenzo(d)(13)dioxol5yl)5oxo5678tetrahydro4Hchromene3carbonitrile
315245171
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C(=O)C1
InChI=1SC17H13N3O6c186915(1611(21)21312(16)2617(9)19)841314(2572413)510(8)20(22)23h4515H13719H2
MFCD00551504
N#CC1=C(N)OC2=C(C1c1cc3OCOc3cc1(N+)(=O)(O))C(=O)CCC2
ZINC000000856142
ZINC000000856143
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