Vitas-M small molecule compound
[(7a-methoxy-2-methyl-7-nitro-1,3-benzoxazol-5(7aH)-ylidene)(oxido)-lambda~5~-azanyl]oxidanide
Catalog ID
STK870278
SMILES COC12OC(=NC1=C/C(=N(\O)/[O-])/C=C2[N+](=O)[O-])C
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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 C9H8N3O6 MW 254.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N3O6/c1-5-10-7-3-6(11(13)14)4-8(12(15)16)9(7,17-2)18-5/h3-4H,1-2H3/q-1InChIKey
DYRAYWUNQYNCAC-UHFFFAOYSA-NSynonyms
(((7AR)7AMETHOXY2METHYL7NITRO13BENZOXAZOL5(7AH)YLIDENE)(OXIDO)LAMBDA5AZANYL)OXIDANIDE
((7amethoxy2methyl7nitro13benzoxazol5(7aH)ylidene)(oxido)lambda~5~azanyl)oxidanide
(7AMETHOXY2METHYL7NITRO13BENZOXAZOL5YLIDENE)DIOXIDOAZANIUM
CC1=NC2=CC(=(N+)((O))(O))C=C(C2(O1)OC)(N+)(=O)(O)
COC12OC(=NC1=CC(=N(O)(O))C=C2(N+)(=O)(O))C
InChI=1SC9H8N3O6c1510736(11(13)14)48(12(15)16)9(7172)185h34H12H3q1
MFCD02934009
ZINC000006419726
ZINC000006419727
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