Vitas-M small molecule compound

[4-(tert-butoxycarbonyl)piperazin-1-yl][5-(cyanomethoxy)-1H-indol-3-yl]acetic acid

Catalog ID
STK931084
SMILES N#CCOc1ccc2c(c1)c(c[nH]2)C(C(=O)O)N1CCN(CC1)C(=O)OC(C)(C)C

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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 C21H26N4O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5/c1-21(2,3)30-20(28)25-9-7-24(8-10-25)18(19(26)27)16-13-23-17-5-4-14(12-15(16)17)29-11-6-22/h4-5,12-13,18,23H,7-11H2,1-3H3,(H,26,27)
InChIKey
WRJQNINALACWEF-UHFFFAOYSA-N
Synonyms
1236271-84-3
(4(tertbutoxycarbonyl)piperazin1yl)(5(cyanomethoxy)1Hindol3yl)aceticacid
1236271843
2(4(tertbutoxycarbonyl)piperazin1yl)2(5(cyanomethoxy)1Hindol3yl)aceticacid
2(5(cyanomethoxy)1Hindol3yl)2(4((2methylpropan2yl)oxycarbonyl)piperazin1yl)aceticacid
CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)OCC#N)C(=O)O
InChI=1SC21H26N4O5c121(23)3020(28)259724(81025)18(19(26)27)161323175414(1215(16)17)2911622h4512131823H711H213H3(H2627)
MFCD16626150
N#CCOc1ccc2c(c1)c(c(nH)2)C(C(=O)O)N1CCN(CC1)C(=O)OC(C)(C)C
ZINC000040286206
ZINC000040286208

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Available files

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