Vitas-M small molecule compound
(2E)-4-({3-[carboxy(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1H-indol-5-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STL043146
SMILES OC(=O)/C=C/C(=O)Nc1ccc2c(c1)c(c[nH]2)C(N1CC2(CC1CC(C2)(C)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 C24H29N3O5 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O5/c1-23(2)9-15-10-24(3,12-23)13-27(15)21(22(31)32)17-11-25-18-5-4-14(8-16(17)18)26-19(28)6-7-20(29)30/h4-8,11,15,21,25H,9-10,12-13H2,1-3H3,(H,26,28)(H,29,30)(H,31,32)/b7-6+InChIKey
VZCFUIKILGYNGM-VOTSOKGWSA-NSynonyms
(2E)4((3(carboxy(133trimethyl6azabicyclo(321)oct6yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy((1R5S)133trimethyl6azabicyclo(321)octan6yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(335trimethyl7azabicyclo(321)octan7yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
CC1(CC2CC(C1)(CN2C(C3=CNC4=C3C=C(C=C4)NC(=O)C=CC(=O)O)C(=O)O)C)C
InChI=1SC24H29N3O5c123(2)9151024(31223)1327(15)21(22(31)32)171125185414(816(17)18)2619(28)6720(29)30h4811152125H9101213H213H3(H2628)(H2930)(H3132)b76+
MFCD18192550
OC(=O)C=CC(=O)Nc1ccc2c(c1)c(c(nH)2)C(N1CC2(CC1CC(C2)(C)C)C)C(=O)O
ZINC000101644314
ZINC000107966481
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.