Vitas-M small molecule compound
3-(4-acetylpiperazin-1-yl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
Catalog ID
STL161729
SMILES COc1cc(CCNC2=C(C(=O)C2=O)N2CCN(CC2)C(=O)C)ccc1OC
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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 C20H25N3O5 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5/c1-13(24)22-8-10-23(11-9-22)18-17(19(25)20(18)26)21-7-6-14-4-5-15(27-2)16(12-14)28-3/h4-5,12,21H,6-11H2,1-3H3InChIKey
PRDSMRGOXDOUNH-UHFFFAOYSA-NSynonyms
1282125-86-31282125863
3(4acetylpiperazin1yl)4((2(34dimethoxyphenyl)ethyl)amino)cyclobut3ene12dione
3(4acetylpiperazin1yl)4((34dimethoxyphenethyl)amino)cyclobut3ene12dione
3(4acetylpiperazin1yl)4(2(34dimethoxyphenyl)ethylamino)cyclobut3ene12dione
CC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCCC3=CC(=C(C=C3)OC)OC
InChI=1SC20H25N3O5c113(24)2281023(11922)1817(19(25)20(18)26)2176144515(272)16(1214)283h451221H611H213H3
MFCD18800016
ZINC000101703151
ZINC101703151
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