Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylamino)-2-{[4-(3-chlorobenzyl)piperazin-1-yl]methyl}-4-oxobutanoic acid
Catalog ID
STL249657
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)Cc1cccc(c1)Cl)Nc1ccc2c(c1)OCO2
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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 C23H26ClN3O5 MW 459.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O5/c24-18-3-1-2-16(10-18)13-26-6-8-27(9-7-26)14-17(23(29)30)11-22(28)25-19-4-5-20-21(12-19)32-15-31-20/h1-5,10,12,17H,6-9,11,13-15H2,(H,25,28)(H,29,30)InChIKey
OZTVQQIWFGVRIL-UHFFFAOYSA-NSynonyms
1374531-16-41374531164
4(13benzodioxol5ylamino)2((4((3chlorophenyl)methyl)piperazin1yl)methyl)4oxobutanoicacid
4(13benzodioxol5ylamino)2((4(3chlorobenzyl)piperazin1yl)methyl)4oxobutanoicacid
4(benzo(d)(13)dioxol5ylamino)2((4(3chlorobenzyl)piperazin1yl)methyl)4oxobutanoicacid
C1CN(CCN1CC2=CC(=CC=C2)Cl)CC(CC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)O
InChI=1SC23H26ClN3O5c241831216(1018)13266827(9726)1417(23(29)30)1122(28)2519452021(1219)32153120h15101217H69111315H2(H2528)(H2930)
MFCD22201743
ZINC000072402850
ZINC000072402851
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