Vitas-M small molecule compound

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

Catalog ID
STL157944
SMILES N#CCCN1CCN(CC1)C1=C(C(=O)C1=O)NCCc1ccccc1OC

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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 C20H24N4O3 MW 368.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O3/c1-27-16-6-3-2-5-15(16)7-9-22-17-18(20(26)19(17)25)24-13-11-23(12-14-24)10-4-8-21/h2-3,5-6,22H,4,7,9-14H2,1H3
InChIKey
BQYHLQQIWWBHCX-UHFFFAOYSA-N
Synonyms
1282095-68-4
1282095684
3(4(2((2(2methoxyphenyl)ethyl)amino)34dioxocyclobut1en1yl)piperazin1yl)propanenitrile
3(4(2((2methoxyphenethyl)amino)34dioxocyclobut1en1yl)piperazin1yl)propanenitrile
3(4(2(2(2methoxyphenyl)ethylamino)34dioxocyclobuten1yl)piperazin1yl)propanenitrile
COC1=CC=CC=C1CCNC2=C(C(=O)C2=O)N3CCN(CC3)CCC#N
InChI=1SC20H24N4O3c12716632515(16)79221718(20(26)19(17)25)24131123(121424)104821h235622H47914H21H3
MFCD18798028
ZINC000101695391
ZINC101695391

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Available files

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