Vitas-M small molecule compound
4-[(3-{carboxy[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}-1H-indol-5-yl)amino]-4-oxobutanoic acid
Catalog ID
STK651849
SMILES OC(=O)CCC(=O)Nc1ccc2c(c1)c(c[nH]2)C(N1CCCN(CC1)c1ncccn1)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 C23H26N6O5 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N6O5/c30-19(5-6-20(31)32)27-15-3-4-18-16(13-15)17(14-26-18)21(22(33)34)28-9-2-10-29(12-11-28)23-24-7-1-8-25-23/h1,3-4,7-8,13-14,21,26H,2,5-6,9-12H2,(H,27,30)(H,31,32)(H,33,34)InChIKey
CWNWRDILJGXDDA-UHFFFAOYSA-NSynonyms
1214178-83-21214178832
4((3(carboxy(4(pyrimidin2yl)14diazepan1yl)methyl)1Hindol5yl)amino)4oxobutanoicacid
4((3(carboxy(4pyrimidin2yl14diazepan1yl)methyl)1Hindol5yl)amino)4oxobutanoicacid
C1CN(CCN(C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O)C4=NC=CC=N4
InChI=1SC23H26N6O5c3019(5620(31)32)2715341816(1315)17(142618)21(22(33)34)28921029(121128)23247182523h1347813142126H256912H2(H2730)(H3132)(H3334)
MFCD13755565
OC(=O)CCC(=O)Nc1ccc2c(c1)c(c(nH)2)C(N1CCCN(CC1)c1ncccn1)C(=O)O
ZINC000036352803
ZINC000105689883
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