Vitas-M small molecule compound
(2Z)-4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobut-2-enoic acid
Catalog ID
STL024423
SMILES O=C(NCc1ccc2c(c1)OCO2)/C=C\C(=O)O
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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 C12H11NO5 MW 249.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11NO5/c14-11(3-4-12(15)16)13-6-8-1-2-9-10(5-8)18-7-17-9/h1-5H,6-7H2,(H,13,14)(H,15,16)/b4-3-InChIKey
ZDBQEQPDCXCIKE-ARJAWSKDSA-NSynonyms
294634-37-0(2Z)4((13benzodioxol5ylmethyl)amino)4oxobut2enoicacid
(Z)4(13BENZODIOXOL5YLMETHYLAMINO)4OXOBUT2ENOICACID
294634370
C1OC2=C(O1)C=C(C=C2)CNC(=O)C=CC(=O)O
InChI=1SC12H11NO5c1411(3412(15)16)136812910(58)187179h15H67H2(H1314)(H1516)b43
MFCD03039718
O=C(NCc1ccc2c(c1)OCO2)C=CC(=O)O
ZINC000100384600
ZINC100384600
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