Vitas-M small molecule compound

[6-(benzyloxy)-1H-indol-3-yl][4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]acetic acid

Catalog ID
STK646161
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)OCc1ccccc1)N1CCCN(CC1)c1ncccn1

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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 C26H27N5O3 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3/c32-25(33)24(30-12-5-13-31(15-14-30)26-27-10-4-11-28-26)22-17-29-23-16-20(8-9-21(22)23)34-18-19-6-2-1-3-7-19/h1-4,6-11,16-17,24,29H,5,12-15,18H2,(H,32,33)
InChIKey
CRODLNHZCDQGIX-UHFFFAOYSA-N
Synonyms
1010937-85-5
(6(benzyloxy)1Hindol3yl)(4(pyrimidin2yl)14diazepan1yl)aceticacid
1010937855
2(6(benzyloxy)1Hindol3yl)2(4(pyrimidin2yl)14diazepan1yl)aceticacid
2(6phenylmethoxy1Hindol3yl)2(4pyrimidin2yl14diazepan1yl)aceticacid
C1CN(CCN(C1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O)C5=NC=CC=N5
InChI=1SC26H27N5O3c3225(33)24(301251331(151430)2627104112826)221729231620(8921(22)23)3418196213719h1461116172429H5121518H2(H3233)
MFCD12202691
OC(=O)C(c1c(nH)c2c1ccc(c2)OCc1ccccc1)N1CCCN(CC1)c1ncccn1
ZINC000012391243
ZINC000012391244

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Available files

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