Vitas-M small molecule compound
3-(4-benzylpiperazin-1-yl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
Catalog ID
STL157127
SMILES COc1cc(CCNC2=C(C(=O)C2=O)N2CCN(CC2)Cc2ccccc2)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 C25H29N3O4 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4/c1-31-20-9-8-18(16-21(20)32-2)10-11-26-22-23(25(30)24(22)29)28-14-12-27(13-15-28)17-19-6-4-3-5-7-19/h3-9,16,26H,10-15,17H2,1-2H3InChIKey
IMBFSVKANINYPY-UHFFFAOYSA-NSynonyms
1282114-78-61282114786
3(4benzylpiperazin1yl)4((2(34dimethoxyphenyl)ethyl)amino)cyclobut3ene12dione
3(4benzylpiperazin1yl)4((34dimethoxyphenethyl)amino)cyclobut3ene12dione
3(4benzylpiperazin1yl)4(2(34dimethoxyphenyl)ethylamino)cyclobut3ene12dione
COC1=C(C=C(C=C1)CCNC2=C(C(=O)C2=O)N3CCN(CC3)CC4=CC=CC=C4)OC
InChI=1SC25H29N3O4c131209818(1621(20)322)1011262223(25(30)24(22)29)28141227(131528)17196435719h391626H101517H212H3
MFCD18798783
ZINC000101698021
ZINC101698021
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