Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylamino)-2-(morpholin-4-ylmethyl)-4-oxobutanoic acid
Catalog ID
STL154696
SMILES O=C(CC(C(=O)O)CN1CCOCC1)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 C16H20N2O6 MW 336.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O6/c19-15(17-12-1-2-13-14(8-12)24-10-23-13)7-11(16(20)21)9-18-3-5-22-6-4-18/h1-2,8,11H,3-7,9-10H2,(H,17,19)(H,20,21)InChIKey
QSPRXRWYWPMQMH-UHFFFAOYSA-NSynonyms
1324091-20-41324091204
4(13benzodioxol5ylamino)2(morpholin4ylmethyl)4oxobutanoicacid
4(benzo(d)(13)dioxol5ylamino)2(morpholinomethyl)4oxobutanoicacid
C1COCCN1CC(CC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)O
InChI=1SC16H20N2O6c1915(1712121314(812)24102313)711(16(20)21)91835226418h12811H37910H2(H1719)(H2021)
MFCD19708614
ZINC000071279932
ZINC000071279933
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