Vitas-M small molecule compound
1-benzyl-3-{carboxy[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}-1H-indole-6-carboxylic acid
Catalog ID
STK933707
SMILES OC(=O)c1ccc2c(c1)n(Cc1ccccc1)cc2C(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 C27H27N5O4 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4/c33-25(34)20-8-9-21-22(18-32(23(21)16-20)17-19-6-2-1-3-7-19)24(26(35)36)30-12-5-13-31(15-14-30)27-28-10-4-11-29-27/h1-4,6-11,16,18,24H,5,12-15,17H2,(H,33,34)(H,35,36)InChIKey
RKEOZXLPFHMUMW-UHFFFAOYSA-NSynonyms
1214822-29-31214822293
1benzyl3(carboxy(4(pyrimidin2yl)14diazepan1yl)methyl)1Hindole6carboxylicacid
1benzyl3(carboxy(4pyrimidin2yl14diazepan1yl)methyl)indole6carboxylicacid
C1CN(CCN(C1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O)C5=NC=CC=N5
InChI=1SC27H27N5O4c3325(34)20892122(1832(23(21)1620)17196213719)24(26(35)36)301251331(151430)2728104112927h14611161824H5121517H2(H3334)(H3536)
MFCD13756586
ZINC000036355052
ZINC000036355055
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