Vitas-M small molecule compound
1-{5-[(2-chlorobenzyl)amino]-3-(4-methylphenyl)-1H-1,2,4-triazol-1-yl}ethanone
Catalog ID
STK213416
SMILES Cc1ccc(cc1)c1nn(c(n1)NCc1ccccc1Cl)C(=O)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 C18H17ClN4O MW 340.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O/c1-12-7-9-14(10-8-12)17-21-18(23(22-17)13(2)24)20-11-15-5-3-4-6-16(15)19/h3-10H,11H2,1-2H3,(H,20,21,22)InChIKey
BNCWBBCAYMWIFR-UHFFFAOYSA-NSynonyms
1(5((2CHLOROBENZYL)AMINO)3(4METHYLPHENYL)1H124TRIAZOL1YL)ETHANONE
1(5((2CHLOROPHENYL)METHYLAMINO)3(4METHYLPHENYL)124TRIAZOL1YL)ETHANONE
CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CC=C3Cl)C(=O)C
InChI=1SC18H17ClN4Oc1127914(10812)172118(23(2217)13(2)24)201115534616(15)19h310H11H212H3(H202122)
MFCD08671605
ZINC000004783724
ZINC04783724
ZINC4783724
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