Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]butanoic acid
Catalog ID
STL246029
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)c1ccccc1)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 C22H25N3O5 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5/c26-21(23-17-6-7-19-20(13-17)30-15-29-19)12-16(22(27)28)14-24-8-10-25(11-9-24)18-4-2-1-3-5-18/h1-7,13,16H,8-12,14-15H2,(H,23,26)(H,27,28)InChIKey
PMOWMHMORKFPHX-UHFFFAOYSA-NSynonyms
1374549-46-81374549468
4(13benzodioxol5ylamino)4oxo2((4phenylpiperazin1yl)methyl)butanoicacid
4(benzo(d)(13)dioxol5ylamino)4oxo2((4phenylpiperazin1yl)methyl)butanoicacid
C1CN(CCN1CC(CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=CC=C4
InChI=1SC22H25N3O5c2621(2317671920(1317)30152919)1216(22(27)28)142481025(11924)184213518h171316H8121415H2(H2326)(H2728)
MFCD22203958
ZINC000072405595
ZINC000072405596
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