Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)butanoic acid
Catalog ID
STL249275
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)C/C=C/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 C25H29N3O5 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O5/c29-24(26-21-8-9-22-23(16-21)33-18-32-22)15-20(25(30)31)17-28-13-11-27(12-14-28)10-4-7-19-5-2-1-3-6-19/h1-9,16,20H,10-15,17-18H2,(H,26,29)(H,30,31)/b7-4+InChIKey
HQQASIWSEZGYPA-QPJJXVBHSA-NSynonyms
1374560-76-5(E)4(benzo(d)(13)dioxol5ylamino)2((4cinnamylpiperazin1yl)methyl)4oxobutanoicacid
1374560765
4(13benzodioxol5ylamino)4oxo2((4((2E)3phenylprop2en1yl)piperazin1yl)methyl)butanoicacid
4(13benzodioxol5ylamino)4oxo2((4((E)3phenylprop2enyl)piperazin1yl)methyl)butanoicacid
C1CN(CCN1CC=CC2=CC=CC=C2)CC(CC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)O
InChI=1SC25H29N3O5c2924(2621892223(1621)33183222)1520(25(30)31)1728131127(121428)1047195213619h191620H10151718H2(H2629)(H3031)b74+
MFCD22204029
O=C(CC(C(=O)O)CN1CCN(CC1)CC=Cc1ccccc1)Nc1ccc2c(c1)OCO2
ZINC000072405695
ZINC000072405696
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