Vitas-M small molecule compound
[1-(carboxymethyl)-6-chloro-1H-indol-3-yl][4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]acetic acid
Catalog ID
STK653698
SMILES Clc1ccc2c(c1)n(CC(=O)O)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 C21H22ClN5O4 MW 443.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O4/c22-14-3-4-15-16(12-27(13-18(28)29)17(15)11-14)19(20(30)31)25-7-2-8-26(10-9-25)21-23-5-1-6-24-21/h1,3-6,11-12,19H,2,7-10,13H2,(H,28,29)(H,30,31)InChIKey
LYYTUSHVHODBNK-UHFFFAOYSA-NSynonyms
1214150-57-8(1(carboxymethyl)6chloro1Hindol3yl)(4(pyrimidin2yl)14diazepan1yl)aceticacid
1214150578
2(1(carboxymethyl)6chloro1Hindol3yl)2(4(pyrimidin2yl)14diazepan1yl)aceticacid
2(1(carboxymethyl)6chloroindol3yl)2(4pyrimidin2yl14diazepan1yl)aceticacid
C1CN(CCN(C1)C(C2=CN(C3=C2C=CC(=C3)Cl)CC(=O)O)C(=O)O)C4=NC=CC=N4
InChI=1SC21H22ClN5O4c2214341516(1227(1318(28)29)17(15)1114)19(20(30)31)2572826(10925)21235162421h136111219H271013H2(H2829)(H3031)
MFCD13756795
ZINC000036357055
ZINC000105691282
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