Vitas-M small molecule compound

3-(4-{2-[(2-methoxybenzyl)amino]-3,4-dioxocyclobut-1-en-1-yl}piperazin-1-yl)propanenitrile

Catalog ID
STL160666
SMILES N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NCc1ccccc1OC

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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 C19H22N4O3 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O3/c1-26-15-6-3-2-5-14(15)13-21-16-17(19(25)18(16)24)23-11-9-22(10-12-23)8-4-7-20/h2-3,5-6,21H,4,8-13H2,1H3
InChIKey
XPYDIVHTGZFYSA-UHFFFAOYSA-N
Synonyms
1282102-72-0
1282102720
3(4(2((2methoxybenzyl)amino)34dioxocyclobut1en1yl)piperazin1yl)propanenitrile
3(4(2((2methoxyphenyl)methylamino)34dioxocyclobuten1yl)piperazin1yl)propanenitrile
COC1=CC=CC=C1CNC2=C(C(=O)C2=O)N3CCN(CC3)CCC#N
InChI=1SC19H22N4O3c12615632514(15)13211617(19(25)18(16)24)2311922(101223)84720h235621H4813H21H3
MFCD18797603
ZINC000101694271
ZINC101694271

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Available files

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