Vitas-M small molecule compound
5-nitro-1,3-di(prop-2-en-1-yl)-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL442391
SMILES C=CCn1c(=O)n(c2c1cc(cc2)[N+](=O)[O-])CC=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 C13H13N3O3 MW 259.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3/c1-3-7-14-11-6-5-10(16(18)19)9-12(11)15(8-4-2)13(14)17/h3-6,9H,1-2,7-8H2InChIKey
BGXVBHZFMRAVDY-UHFFFAOYSA-NSynonyms
13DIALLYL5NITRO13DIHYDROBENZOIMIDAZOL2ONE
5NITRO13BIS(PROP2ENYL)BENZIMIDAZOL2ONE
5nitro13di(prop2en1yl)13dihydro2Hbenzimidazol2one
C=CCn1c(=O)n(c2c1cc(cc2)(N+)(=O)(O))CC=C
C=CCN1C2=C(C=C(C=C2)(N+)(=O)(O))N(C1=O)CC=C
InChI=1SC13H13N3O3c13714116510(16(18)19)912(11)15(842)13(14)17h369H1278H2
MFCD00697908
ZINC000005005356
ZINC05005356
ZINC5005356
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