Vitas-M small molecule compound

4-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(furan-2-ylmethyl)-2-nitroaniline

Catalog ID
STK380698
SMILES [O-][N+](=O)c1cc(ccc1NCc1ccco1)n1c(C)ccc1C

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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 C17H17N3O3 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3/c1-12-5-6-13(2)19(12)14-7-8-16(17(10-14)20(21)22)18-11-15-4-3-9-23-15/h3-10,18H,11H2,1-2H3
InChIKey
QDPHPGCXSUQOFQ-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(ccc1NCc1ccco1)n1c(C)ccc1C
4(25dimethyl1Hpyrrol1yl)N(furan2ylmethyl)2nitroaniline
4(25DIMETHYLPYRROL1YL)N(FURAN2YLMETHYL)2NITROANILINE
CC1=CC=C(N1C2=CC(=C(C=C2)NCC3=CC=CO3)(N+)(=O)(O))C
InChI=1SC17H17N3O3c1125613(2)19(12)147816(17(1014)20(21)22)1811154392315h31018H11H212H3
MFCD02197483
ZINC000004087569
ZINC04087569
ZINC4087569

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.