Vitas-M small molecule compound
2-chloro-N-(cyanomethyl)-4-nitrobenzamide
Catalog ID
STK086463
SMILES N#CCNC(=O)c1ccc(cc1Cl)[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 C9H6ClN3O3 MW 239.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H6ClN3O3/c10-8-5-6(13(15)16)1-2-7(8)9(14)12-4-3-11/h1-2,5H,4H2,(H,12,14)InChIKey
NEPGVUJJTNJLJK-UHFFFAOYSA-NSynonyms
22978-68-3(2CHLORO4NITROPHENYL)N(CYANOMETHYL)CARBOXAMIDE
22978683
2CHLORON(CYANOMETHYL)4NITROBENZAMIDE
C1=CC(=C(C=C1(N+)(=O)(O))Cl)C(=O)NCC#N
InChI=1SC9H6ClN3O3c10856(13(15)16)127(8)9(14)124311h125H4H2(H1214)
MFCD00784046
N#CCNC(=O)c1ccc(cc1Cl)(N+)(=O)(O)
STK086463
ZINC000002874846
ZINC02874846
ZINC2874846
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