Vitas-M small molecule compound
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-butylphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK317131
SMILES CCCCc1ccccc1NC(=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 C23H29BrN4O MW 457.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29BrN4O/c1-2-3-6-18-7-4-5-8-19(18)26-20(29)22-10-16-9-17(11-22)13-23(12-16,14-22)28-15-25-21(24)27-28/h4-5,7-8,15-17H,2-3,6,9-14H2,1H3,(H,26,29)InChIKey
KCNCZYWGUPJFNL-UHFFFAOYSA-NSynonyms
492429-23-93(3BROMO124TRIAZOL1YL)N(2BUTYLPHENYL)ADAMANTANE1CARBOXAMIDE
3(3BROMO1H124TRIAZOL1YL)N(2BUTYLPHENYL)1ADAMANTANECARBOXAMIDE
3(3bromo1H124triazol1yl)N(2butylphenyl)tricyclo(3311~37~)decane1carboxamide
492429239
CCCCC1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br
InChI=1SC23H29BrN4Oc123618745819(18)2620(29)221016917(1122)1323(12161422)28152521(24)2728h45781517H236914H21H3(H2629)
MFCD03073587
ZINC000012649602
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