Vitas-M small molecule compound
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK316114
SMILES Brc1ncn(n1)C12CC3CC(C1)CC(C2)(C3)C(=O)Nc1ccc2c(c1)OCCO2
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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 C21H23BrN4O3 MW 459.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O3/c22-19-23-12-26(25-19)21-9-13-5-14(10-21)8-20(7-13,11-21)18(27)24-15-1-2-16-17(6-15)29-4-3-28-16/h1-2,6,12-14H,3-5,7-11H2,(H,24,27)InChIKey
AFOUBIYQTRFLNZ-UHFFFAOYSA-NSynonyms
444924-60-13(3BROMO124TRIAZOL1YL)N(23DIHYDRO14BENZODIOXIN6YL)ADAMANTANE1CARBOXAMIDE
3(3BROMO1H124TRIAZOL1YL)N(23DIHYDRO14BENZODIOXIN6YL)1ADAMANTANECARBOXAMIDE
3(3bromo1H124triazol1yl)N(23dihydro14benzodioxin6yl)tricyclo(3311~37~)decane1carboxamide
444924601
C1COC2=C(O1)C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C=NC(=N6)Br
InChI=1SC21H23BrN4O3c2219231226(2519)21913514(1021)820(7131121)18(27)2415121617(615)29432816h1261214H35711H2(H2427)
MFCD03070916
ZINC000018154894
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