Vitas-M small molecule compound
tert-butyl (1-{[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}piperidin-4-yl)carbamate
Catalog ID
STL081218
SMILES O=C(OC(C)(C)C)NC1CCN(CC1)C(=O)c1nnn(c1)c1ccc(cc1)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 C20H27N5O3 MW 385.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O3/c1-14-5-7-16(8-6-14)25-13-17(22-23-25)18(26)24-11-9-15(10-12-24)21-19(27)28-20(2,3)4/h5-8,13,15H,9-12H2,1-4H3,(H,21,27)InChIKey
MBECCPWTQYKMFR-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N3CCC(CC3)NC(=O)OC(C)(C)C
InChI=1SC20H27N5O3c1145716(8614)251317(222325)18(26)2411915(101224)2119(27)2820(23)4h581315H912H214H3(H2127)
MFCD18201656
tertbutyl(1((1(4methylphenyl)1H123triazol4yl)carbonyl)piperidin4yl)carbamate
tertbutylN(1(1(4methylphenyl)triazole4carbonyl)piperidin4yl)carbamate
ZINC000053775656
ZINC53775656
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