Vitas-M small molecule compound

tert-butyl (1-{[1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}piperidin-4-yl)carbamate

Catalog ID
STL081050
SMILES O=C(OC(C)(C)C)NC1CCN(CC1)C(=O)c1nnn(c1)c1ccc(c(c1)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 C21H29N5O3 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O3/c1-14-6-7-17(12-15(14)2)26-13-18(23-24-26)19(27)25-10-8-16(9-11-25)22-20(28)29-21(3,4)5/h6-7,12-13,16H,8-11H2,1-5H3,(H,22,28)
InChIKey
FNGWZAWDWNECGX-UHFFFAOYSA-N
Synonyms
1261007-21-9
1261007219
CC1=C(C=C(C=C1)N2C=C(N=N2)C(=O)N3CCC(CC3)NC(=O)OC(C)(C)C)C
InChI=1SC21H29N5O3c1146717(1215(14)2)261318(232426)19(27)2510816(91125)2220(28)2921(34)5h67121316H811H215H3(H2228)
MFCD18201599
tertbutyl(1((1(34dimethylphenyl)1H123triazol4yl)carbonyl)piperidin4yl)carbamate
tertbutylN(1(1(34dimethylphenyl)triazole4carbonyl)piperidin4yl)carbamate
ZINC000057509240
ZINC57509240

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.