Vitas-M small molecule compound
(2E)-4-({3-[carboxy(morpholin-4-yl)methyl]-1H-indol-6-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK651265
SMILES O=C(Nc1ccc2c(c1)[nH]cc2C(N1CCOCC1)C(=O)O)/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 C18H19N3O6 MW 373.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O6/c22-15(3-4-16(23)24)20-11-1-2-12-13(10-19-14(12)9-11)17(18(25)26)21-5-7-27-8-6-21/h1-4,9-10,17,19H,5-8H2,(H,20,22)(H,23,24)(H,25,26)/b4-3+InChIKey
KKDYBTCIUVTICI-ONEGZZNKSA-NSynonyms
(2E)4((3(carboxy(morpholin4yl)methyl)1Hindol6yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(morpholin4yl)methyl)1Hindol6yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(morpholino)methyl)1Hindol6yl)amino)4oxobut2enoicacid
C1COCCN1C(C2=CNC3=C2C=CC(=C3)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC18H19N3O6c2215(3416(23)24)2011121213(101914(12)911)17(18(25)26)2157278621h149101719H58H2(H2022)(H2324)(H2526)b43+
MFCD12218668
O=C(Nc1ccc2c(c1)(nH)cc2C(N1CCOCC1)C(=O)O)C=CC(=O)O
ZINC000031812320
ZINC000031812325
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