Vitas-M small molecule compound
N-{3-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl}-1-(pyrimidin-2-yl)piperidine-3-carboxamide
Catalog ID
STL424649
SMILES COc1ccc(cc1)CCc1n[nH]c(n1)NC(=O)C1CCCN(C1)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 C21H25N7O2 MW 407.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O2/c1-30-17-8-5-15(6-9-17)7-10-18-24-20(27-26-18)25-19(29)16-4-2-13-28(14-16)21-22-11-3-12-23-21/h3,5-6,8-9,11-12,16H,2,4,7,10,13-14H2,1H3,(H2,24,25,26,27,29)InChIKey
JINRPQNTAZOFKC-UHFFFAOYSA-NSynonyms
1630899-65-81630899658
COC1=CC=C(C=C1)CCC2=NC(=NN2)NC(=O)C3CCCN(C3)C4=NC=CC=N4
COc1ccc(cc1)CCc1(nH)nc(n1)NC(=O)C1CCCN(C1)c1ncccn1
COc1ccc(cc1)CCc1n(nH)c(n1)NC(=O)C1CCCN(C1)c1ncccn1
InChI=1SC21H25N7O2c130178515(6917)710182420(272618)2519(29)16421328(1416)2122113122321h35689111216H247101314H21H3(H22425262729)
MFCD30709493
N(3(2(4methoxyphenyl)ethyl)1H124triazol5yl)1(pyrimidin2yl)piperidine3carboxamide
N(5(2(4methoxyphenyl)ethyl)1H124triazol3yl)1pyrimidin2ylpiperidine3carboxamide
N(5(4methoxyphenethyl)1H124triazol3yl)1(pyrimidin2yl)piperidine3carboxamide
ZINC000170625123
ZINC000170625124
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