Vitas-M small molecule compound
3-{carboxy[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}-1-methyl-1H-indole-6-carboxylic acid
Catalog ID
STK935011
SMILES OC(=O)c1ccc2c(c1)n(C)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 C21H23N5O4 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4/c1-24-13-16(15-5-4-14(19(27)28)12-17(15)24)18(20(29)30)25-8-3-9-26(11-10-25)21-22-6-2-7-23-21/h2,4-7,12-13,18H,3,8-11H2,1H3,(H,27,28)(H,29,30)InChIKey
CJHVNBIKHLFWKR-UHFFFAOYSA-NSynonyms
1214066-32-61214066326
3(carboxy(4(pyrimidin2yl)14diazepan1yl)methyl)1methyl1Hindole6carboxylicacid
3(carboxy(4pyrimidin2yl14diazepan1yl)methyl)1methylindole6carboxylicacid
CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCCN(CC3)C4=NC=CC=N4
InChI=1SC21H23N5O4c1241316(155414(19(27)28)1217(15)24)18(20(29)30)2583926(111025)21226272321h247121318H3811H21H3(H2728)(H2930)
MFCD13756737
ZINC000036356982
ZINC000036356983
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