Vitas-M small molecule compound
[5-(cyanomethoxy)-1H-indol-3-yl][4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]acetic acid
Catalog ID
STK940125
SMILES N#CCOc1ccc2c(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 C21H22N6O3 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3/c22-5-12-30-15-3-4-18-16(13-15)17(14-25-18)19(20(28)29)26-8-2-9-27(11-10-26)21-23-6-1-7-24-21/h1,3-4,6-7,13-14,19,25H,2,8-12H2,(H,28,29)InChIKey
BYMSUJVSZHQVQG-UHFFFAOYSA-NSynonyms
1236257-58-1(5(cyanomethoxy)1Hindol3yl)(4(pyrimidin2yl)14diazepan1yl)aceticacid
1236257581
2(5(cyanomethoxy)1Hindol3yl)2(4(pyrimidin2yl)14diazepan1yl)aceticacid
2(5(cyanomethoxy)1Hindol3yl)2(4pyrimidin2yl14diazepan1yl)aceticacid
C1CN(CCN(C1)C(C2=CNC3=C2C=C(C=C3)OCC#N)C(=O)O)C4=NC=CC=N4
InChI=1SC21H22N6O3c225123015341816(1315)17(142518)19(20(28)29)2682927(111026)21236172421h1346713141925H2812H2(H2829)
MFCD16623789
N#CCOc1ccc2c(c1)c(c(nH)2)C(N1CCCN(CC1)c1ncccn1)C(=O)O
ZINC000040267319
ZINC000105827530
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