Vitas-M small molecule compound
(2E)-4-[(3-{carboxy[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]methyl}-1H-indol-6-yl)amino]-4-oxobut-2-enoic acid
Catalog ID
STK653158
SMILES CC(=C)CN1CCN(CC1)C(c1c[nH]c2c1ccc(c2)NC(=O)/C=C/C(=O)O)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 C22H26N4O5 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O5/c1-14(2)13-25-7-9-26(10-8-25)21(22(30)31)17-12-23-18-11-15(3-4-16(17)18)24-19(27)5-6-20(28)29/h3-6,11-12,21,23H,1,7-10,13H2,2H3,(H,24,27)(H,28,29)(H,30,31)/b6-5+InChIKey
XPOFJEIXRRHOAE-AATRIKPKSA-NSynonyms
(2E)4((3(carboxy(4(2methylprop2en1yl)piperazin1yl)methyl)1Hindol6yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(4(2methylallyl)piperazin1yl)methyl)1Hindol6yl)amino)4oxobut2enoicacid
(E)4((3(carboxy(4(2methylprop2enyl)piperazin1yl)methyl)1Hindol6yl)amino)4oxobut2enoicacid
CC(=C)CN1CCN(CC1)C(c1c(nH)c2c1ccc(c2)NC(=O)C=CC(=O)O)C(=O)O
CC(=C)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C=CC(=O)O)C(=O)O
InChI=1SC22H26N4O5c114(2)13257926(10825)21(22(30)31)171223181115(3416(17)18)2419(27)5620(28)29h3611122123H171013H22H3(H2427)(H2829)(H3031)b65+
MFCD13760742
ZINC000095481213
ZINC000095481214
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