Vitas-M small molecule compound
(2E)-4-[(3-{carboxy[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl}-1H-indol-5-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK653004
SMILES OC(=O)C(c1c[nH]c2c1cc(cc2)NC(=O)/C=C/C(=O)O)N1CCN(CC1)Cc1ccncc1
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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(3-4-22(31)32)27-17-1-2-20-18(13-17)19(14-26-20)23(24(33)34)29-11-9-28(10-12-29)15-16-5-7-25-8-6-16/h1-8,13-14,23,26H,9-12,15H2,(H,27,30)(H,31,32)(H,33,34)/b4-3+InChIKey
IUABOIYSXLQTJQ-ONEGZZNKSA-NSynonyms
(2E)4((3(carboxy(4(pyridin4ylmethyl)piperazin1yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(4(pyridin4ylmethyl)piperazin1yl)methyl)1Hindol5yl)amino)4oxobut2enoicacid
C1CN(CCN1CC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC24H25N5O5c3021(3422(31)32)2717122018(1317)19(142620)23(24(33)34)2911928(101229)151657258616h1813142326H91215H2(H2730)(H3132)(H3334)b43+
MFCD13759800
OC(=O)C(c1c(nH)c2c1cc(cc2)NC(=O)C=CC(=O)O)N1CCN(CC1)Cc1ccncc1
ZINC000036360671
ZINC000036360672
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