Vitas-M small molecule compound
(2E)-4-[(3-{carboxy[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl}-1H-indol-5-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK651560
SMILES O=C(Nc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)Cc1ccccn1)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 C24H25N5O5 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O5/c30-21(6-7-22(31)32)27-16-4-5-20-18(13-16)19(14-26-20)23(24(33)34)29-11-9-28(10-12-29)15-17-3-1-2-8-25-17/h1-8,13-14,23,26H,9-12,15H2,(H,27,30)(H,31,32)(H,33,34)/b7-6+InChIKey
VDNGLDOCFKOYCC-VOTSOKGWSA-NSynonyms
(2E)4((3(carboxy(4(pyridin2ylmethyl)piperazin1yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(4(pyridin2ylmethyl)piperazin1yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
C1CN(CCN1CC2=CC=CC=N2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC24H25N5O5c3021(6722(31)32)2716452018(1316)19(142620)23(24(33)34)2911928(101229)151731282517h1813142326H91215H2(H2730)(H3132)(H3334)b76+
MFCD13759636
O=C(Nc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)Cc1ccccn1)C(=O)O)C=CC(=O)O
ZINC000036360466
ZINC000036360467
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