Vitas-M small molecule compound

4-chloro-N-(cyanomethyl)-3-nitrobenzamide

Catalog ID
STK063712
SMILES N#CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

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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/c10-7-2-1-6(5-8(7)13(15)16)9(14)12-4-3-11/h1-2,5H,4H2,(H,12,14)
InChIKey
CELDIKWDJUOOMM-UHFFFAOYSA-N
Synonyms
22978-08-1
(4CHLORO3NITROPHENYL)N(CYANOMETHYL)CARBOXAMIDE
22978081
4CHLORON(CYANOMETHYL)3NITROBENZAMIDE
4CHLORONCYANOMETHYL3NITROBENZAMIDE
C1=CC(=C(C=C1C(=O)NCC#N)(N+)(=O)(O))Cl
InChI=1SC9H6ClN3O3c107216(58(7)13(15)16)9(14)124311h125H4H2(H1214)
MFCD01212456
N#CCNC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
STK063712
ZINC000002070825
ZINC02070825
ZINC2070825

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Available files

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