Vitas-M small molecule compound

propan-2-yl 2-(4,5-dicyano-2-nitrophenoxy)benzoate

Catalog ID
STK778217
SMILES N#Cc1cc([N+](=O)[O-])c(cc1C#N)Oc1ccccc1C(=O)OC(C)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 C18H13N3O5 MW 351.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O5/c1-11(2)25-18(22)14-5-3-4-6-16(14)26-17-8-13(10-20)12(9-19)7-15(17)21(23)24/h3-8,11H,1-2H3
InChIKey
DCEVTTBQDKAKNB-UHFFFAOYSA-N
Synonyms

BENZOICACID2(45DICYANO2NITROPHENOXY)1METHYLETHYLESTER
CC(C)OC(=O)C1=CC=CC=C1OC2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O)
InChI=1SC18H13N3O5c111(2)2518(22)14534616(14)2617813(1020)12(919)715(17)21(23)24h3811H12H3
METHYLETHYL2(34DICYANO6NITROPHENOXY)BENZOATE
MFCD05855975
N#Cc1cc((N+)(=O)(O))c(cc1C#N)Oc1ccccc1C(=O)OC(C)C
propan2yl2(45dicyano2nitrophenoxy)benzoate
ZINC000001427049
ZINC01427049
ZINC1427049

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Available files

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