Vitas-M small molecule compound
(2E)-4-({3-[carboxy(piperidin-1-yl)methyl]-1H-indol-6-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK657455
SMILES O=C(Nc1ccc2c(c1)[nH]cc2C(N1CCCCC1)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 C19H21N3O5 MW 371.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5/c23-16(6-7-17(24)25)21-12-4-5-13-14(11-20-15(13)10-12)18(19(26)27)22-8-2-1-3-9-22/h4-7,10-11,18,20H,1-3,8-9H2,(H,21,23)(H,24,25)(H,26,27)/b7-6+InChIKey
SNDQHCXJPNQROH-VOTSOKGWSA-NSynonyms
(2E)4((3(carboxy(piperidin1yl)methyl)1Hindol6yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(piperidin1yl)methyl)1Hindol6yl)amino)4oxobut2enoicacid
C1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC19H21N3O5c2316(6717(24)25)2112451314(112015(13)1012)18(19(26)27)228213922h4710111820H1389H2(H2123)(H2425)(H2627)b76+
MFCD12214621
O=C(Nc1ccc2c(c1)(nH)cc2C(N1CCCCC1)C(=O)O)C=CC(=O)O
ZINC000032093987
ZINC000032093989
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