Vitas-M small molecule compound
N-[3-(4-methoxybenzyl)-1H-1,2,4-triazol-5-yl]-N~3~-pyrimidin-2-yl-beta-alaninamide
Catalog ID
STL311973
SMILES COc1ccc(cc1)Cc1n[nH]c(n1)NC(=O)CCNc1ncccn1
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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 C17H19N7O2 MW 353.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N7O2/c1-26-13-5-3-12(4-6-13)11-14-21-17(24-23-14)22-15(25)7-10-20-16-18-8-2-9-19-16/h2-6,8-9H,7,10-11H2,1H3,(H,18,19,20)(H2,21,22,23,24,25)InChIKey
HELUNEISRLKHGP-UHFFFAOYSA-NSynonyms
1436004-34-01436004340
COC1=CC=C(C=C1)CC2=NC(=NN2)NC(=O)CCNC3=NC=CC=N3
COc1ccc(cc1)Cc1(nH)nc(n1)NC(=O)CCNc1ncccn1
COc1ccc(cc1)Cc1n(nH)c(n1)NC(=O)CCNc1ncccn1
InChI=1SC17H19N7O2c126135312(4613)11142117(242314)2215(25)7102016188291916h2689H71011H21H3(H181920)(H22122232425)
MFCD28026398
N(3(4methoxybenzyl)1H124triazol5yl)N~3~pyrimidin2ylbetaalaninamide
N(3(4METHOXYBENZYL)1H124TRIAZOL5YL)N3PYRIMIDIN2YLBETAALANINAMIDE
N(5((4methoxyphenyl)methyl)1H124triazol3yl)3(pyrimidin2ylamino)propanamide
N(5(4methoxybenzyl)1H124triazol3yl)3(pyrimidin2ylamino)propanamide
ZINC000095474432
ZINC95474432
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