Vitas-M small molecule compound
(2E)-4-({3-[(4-benzylpiperazin-1-yl)(carboxy)methyl]-1H-indol-6-yl}amino)-4-oxobut-2-enoic acid
Catalog ID
STK939872
SMILES O=C(Nc1ccc2c(c1)[nH]cc2C(N1CCN(CC1)Cc1ccccc1)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 C25H26N4O5 MW 462.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5/c30-22(8-9-23(31)32)27-18-6-7-19-20(15-26-21(19)14-18)24(25(33)34)29-12-10-28(11-13-29)16-17-4-2-1-3-5-17/h1-9,14-15,24,26H,10-13,16H2,(H,27,30)(H,31,32)(H,33,34)/b9-8+InChIKey
VOBCVHIFNRBGJW-CMDGGOBGSA-NSynonyms
(2E)4((3((4benzylpiperazin1yl)(carboxy)methyl)1Hindol6yl)amino)4oxobut2enoicacid
(E)4((3((4benzylpiperazin1yl)(carboxy)methyl)1Hindol6yl)amino)4oxobut2enoicacid
(E)4((3((4benzylpiperazin1yl)carboxymethyl)1Hindol6yl)amino)4oxobut2enoicacid
C1CN(CCN1CC2=CC=CC=C2)C(C3=CNC4=C3C=CC(=C4)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC25H26N4O5c3022(8923(31)32)2718671920(152621(19)1418)24(25(33)34)29121028(111329)16174213517h1914152426H101316H2(H2730)(H3132)(H3334)b98+
MFCD13755578
O=C(Nc1ccc2c(c1)(nH)cc2C(N1CCN(CC1)Cc1ccccc1)C(=O)O)C=CC(=O)O
ZINC000036352826
ZINC000036352828
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