Vitas-M small molecule compound
4-{[3-(carboxy{4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl}methyl)-1H-indol-6-yl]amino}-4-oxobutanoic acid
Catalog ID
STK656089
SMILES O=C(Nc1ccc2c(c1)[nH]cc2C(N1CCN(CC1)Cc1nonc1C)C(=O)O)CCC(=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 C22H26N6O6 MW 470.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O6/c1-13-18(26-34-25-13)12-27-6-8-28(9-7-27)21(22(32)33)16-11-23-17-10-14(2-3-15(16)17)24-19(29)4-5-20(30)31/h2-3,10-11,21,23H,4-9,12H2,1H3,(H,24,29)(H,30,31)(H,32,33)InChIKey
SXTJCLKZKCAWEC-UHFFFAOYSA-NSynonyms
1144481-59-31144481593
4((3(carboxy(4((4methyl125oxadiazol3yl)methyl)piperazin1yl)methyl)1Hindol6yl)amino)4oxobutanoicacid
CC1=NON=C1CN2CCN(CC2)C(C3=CNC4=C3C=CC(=C4)NC(=O)CCC(=O)O)C(=O)O
InChI=1SC22H26N6O6c11318(26342513)12276828(9727)21(22(32)33)161123171014(2315(16)17)2419(29)4520(30)31h2310112123H4912H21H3(H2429)(H3031)(H3233)
MFCD12210891
O=C(Nc1ccc2c(c1)(nH)cc2C(N1CCN(CC1)Cc1nonc1C)C(=O)O)CCC(=O)O
ZINC000031817408
ZINC000031817413
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