Vitas-M small molecule compound
(5-methoxy-1H-indol-3-yl)[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]acetic acid
Catalog ID
STK643312
SMILES COc1ccc2c(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 C20H23N5O3 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3/c1-28-14-4-5-17-15(12-14)16(13-23-17)18(19(26)27)24-8-3-9-25(11-10-24)20-21-6-2-7-22-20/h2,4-7,12-13,18,23H,3,8-11H2,1H3,(H,26,27)InChIKey
JSGPILXFCOFNMX-UHFFFAOYSA-NSynonyms
1040714-97-3(5methoxy1Hindol3yl)(4(pyrimidin2yl)14diazepan1yl)aceticacid
1040714973
2(5methoxy1Hindol3yl)2(4(pyrimidin2yl)14diazepan1yl)aceticacid
2(5methoxy1Hindol3yl)2(4pyrimidin2yl14diazepan1yl)aceticacid
COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCCN(CC3)C4=NC=CC=N4
COc1ccc2c(c1)c(c(nH)2)C(N1CCCN(CC1)c1ncccn1)C(=O)O
InChI=1SC20H23N5O3c12814451715(1214)16(132317)18(19(26)27)2483925(111024)20216272220h24712131823H3811H21H3(H2627)
MFCD12208369
ZINC000020733035
ZINC000020733038
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