Vitas-M small molecule compound
1-(4-bromo-3-methylphenyl)-5-methyl-N-[2-(pyrrolidin-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STK986682
SMILES O=C(c1nnn(c1C)c1ccc(c(c1)C)Br)NCCN1CCCC1
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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 C17H22BrN5O MW 392.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22BrN5O/c1-12-11-14(5-6-15(12)18)23-13(2)16(20-21-23)17(24)19-7-10-22-8-3-4-9-22/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,24)InChIKey
APPPLBDSWASPIM-UHFFFAOYSA-NSynonyms
1(4bromo3methylphenyl)5methylN(2(pyrrolidin1yl)ethyl)1H123triazole4carboxamide
1(4bromo3methylphenyl)5methylN(2pyrrolidin1ylethyl)triazole4carboxamide
CC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)NCCN3CCCC3)C)Br
InChI=1SC17H22BrN5Oc1121114(5615(12)18)2313(2)16(202123)17(24)1971022834922h5611H34710H212H3(H1924)
MFCD18183577
ZINC000051317950
ZINC51317950
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