Vitas-M small molecule compound
4-{[3-(carboxy{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}methyl)-1H-indol-5-yl]amino}-4-oxobutanoic acid
Catalog ID
STK652336
SMILES O=C(Nc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)CC(=O)N(C)C)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 C22H29N5O6 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O6/c1-25(2)19(29)13-26-7-9-27(10-8-26)21(22(32)33)16-12-23-17-4-3-14(11-15(16)17)24-18(28)5-6-20(30)31/h3-4,11-12,21,23H,5-10,13H2,1-2H3,(H,24,28)(H,30,31)(H,32,33)InChIKey
QRDUUWMXKOAGPS-UHFFFAOYSA-NSynonyms
1214181-59-51214181595
4((3(carboxy(4(2(dimethylamino)2oxoethyl)piperazin1yl)methyl)1Hindol5yl)amino)4oxobutanoicacid
CN(C)C(=O)CN1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O
InChI=1SC22H29N5O6c125(2)19(29)13267927(10826)21(22(32)33)161223174314(1115(16)17)2418(28)5620(30)31h3411122123H51013H212H3(H2428)(H3031)(H3233)
MFCD13757709
O=C(Nc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)CC(=O)N(C)C)C(=O)O)CCC(=O)O
ZINC000036358150
ZINC000036358151
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