Vitas-M small molecule compound
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{1-[4-(butan-2-yl)phenyl]propyl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK306795
SMILES CCC(c1ccc(cc1)C(CC)C)NC(=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 C26H35BrN4O MW 499.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35BrN4O/c1-4-17(3)20-6-8-21(9-7-20)22(5-2)29-23(32)25-11-18-10-19(12-25)14-26(13-18,15-25)31-16-28-24(27)30-31/h6-9,16-19,22H,4-5,10-15H2,1-3H3,(H,29,32)InChIKey
JAJAKRKUJBFAGW-UHFFFAOYSA-NSynonyms
828284-94-23(3BROMO124TRIAZOL1YL)N(1(4BUTAN2YLPHENYL)PROPYL)ADAMANTANE1CARBOXAMIDE
3(3bromo1H124triazol1yl)N(1(4(butan2yl)phenyl)propyl)tricyclo(3311~37~)decane1carboxamide
828284942
CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br
InChI=1SC26H35BrN4Oc1417(3)206821(9720)22(52)2923(32)2511181019(1225)1426(13181525)31162824(27)3031h69161922H451015H213H3(H2932)
MFCD04052632
ZINC000002791897
ZINC000229877667
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