Vitas-M small molecule compound
3-(3-nitro-1H-1,2,4-triazol-1-yl)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK959670
SMILES O=C(C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)[N+](=O)[O-])NC(C12CC3CC(C2)CC(C1)C3)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H35N5O3 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35N5O3/c1-15(23-6-16-2-17(7-23)4-18(3-16)8-23)27-21(31)24-9-19-5-20(10-24)12-25(11-19,13-24)29-14-26-22(28-29)30(32)33/h14-20H,2-13H2,1H3,(H,27,31)InChIKey
TWFZCPMDEYULGJ-UHFFFAOYSA-NSynonyms
495381-71-03(3nitro1H124triazol1yl)N(1(tricyclo(3311~37~)dec1yl)ethyl)tricyclo(3311~37~)decane1carboxamide
495381710
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)(N+)(=O)(O)
InChI=1SC25H35N5O3c115(23616217(723)418(316)823)2721(31)24919520(1024)1225(11191324)29142622(2829)30(32)33h1420H213H21H3(H2731)
MFCD03071417
N(1(1adamantyl)ethyl)3(3nitro124triazol1yl)adamantane1carboxamide
O=C(C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)(N+)(=O)(O))NC(C12CC3CC(C2)CC(C1)C3)C
ZINC000015931434
ZINC000015931436
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