Vitas-M small molecule compound

2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-(4-methoxy-3-nitrophenyl)-3-oxopropanenitrile

Catalog ID
STK860097
SMILES N#C/C(=c/1\[nH]c2c([nH]1)cccc2)/C(=O)c1ccc(c(c1)[N+](=O)[O-])OC

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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 C17H12N4O4 MW 336.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O4/c1-25-15-7-6-10(8-14(15)21(23)24)16(22)11(9-18)17-19-12-4-2-3-5-13(12)20-17/h2-8,19-20H,1H3
InChIKey
JTFPBRKMLGVKJJ-UHFFFAOYSA-N
Synonyms
585560-07-2
2(13dihydro2Hbenzimidazol2ylidene)3(4methoxy3nitrophenyl)3oxopropanenitrile
2(13DIHYDROBENZIMIDAZOL2YLIDENE)3(4METHOXY3NITROPHENYL)3OXOPROPANENITRILE
2(1Hbenzo(d)imidazol2(3H)ylidene)3(4methoxy3nitrophenyl)3oxopropanenitrile
585560072
COC1=C(C=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2)C#N)(N+)(=O)(O)
InChI=1SC17H12N4O4c125157610(814(15)21(23)24)16(22)11(918)171912423513(12)2017h281920H1H3
MFCD03869458
N#CC(=c1(nH)c2c((nH)1)cccc2)C(=O)c1ccc(c(c1)(N+)(=O)(O))OC
ZINC000000532503
ZINC00532503
ZINC532503

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Available files

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