Vitas-M small molecule compound
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-chlorobenzyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STL173601
SMILES Clc1ccc(cc1)CNC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)Br
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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 C20H22BrClN4O MW 449.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrClN4O/c21-18-24-12-26(25-18)20-8-14-5-15(9-20)7-19(6-14,11-20)17(27)23-10-13-1-3-16(22)4-2-13/h1-4,12,14-15H,5-11H2,(H,23,27)InChIKey
VYBMXEVORJZDRN-UHFFFAOYSA-NSynonyms
445020-69-93(3bromo124triazol1yl)N((4chlorophenyl)methyl)adamantane1carboxamide
3(3bromo1H124triazol1yl)N(4chlorobenzyl)tricyclo(3311~37~)decane1carboxamide
445020699
C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NCC5=CC=C(C=C5)Cl
InChI=1SC20H22BrClN4Oc2118241226(2518)20814515(920)719(6141120)17(27)2310131316(22)4213h14121415H511H2(H2327)
ZINC000015931567
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