Vitas-M small molecule compound
(2E)-4-[(3-{carboxy[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indol-5-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK657688
SMILES O=C(Nc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)c1ccccn1)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 C23H23N5O5 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5/c29-20(6-7-21(30)31)26-15-4-5-18-16(13-15)17(14-25-18)22(23(32)33)28-11-9-27(10-12-28)19-3-1-2-8-24-19/h1-8,13-14,22,25H,9-12H2,(H,26,29)(H,30,31)(H,32,33)/b7-6+InChIKey
CUYCLVBISWHGTR-VOTSOKGWSA-NSynonyms
(2E)4((3(carboxy(4(pyridin2yl)piperazin1yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(4(pyridin2yl)piperazin1yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(4pyridin2ylpiperazin1yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
C1CN(CCN1C2=CC=CC=N2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC23H23N5O5c2920(6721(30)31)2615451816(1315)17(142518)22(23(32)33)2811927(101228)1931282419h1813142225H912H2(H2629)(H3031)(H3233)b76+
MFCD12216443
O=C(Nc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)c1ccccn1)C(=O)O)C=CC(=O)O
ZINC000031819844
ZINC000031819847
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