Vitas-M small molecule compound
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,4-dimethoxyphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK317156
SMILES COc1cc(OC)ccc1NC(=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 C21H25BrN4O3 MW 461.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN4O3/c1-28-15-3-4-16(17(6-15)29-2)24-18(27)20-7-13-5-14(8-20)10-21(9-13,11-20)26-12-23-19(22)25-26/h3-4,6,12-14H,5,7-11H2,1-2H3,(H,24,27)InChIKey
RHQXTCPJTIAMAT-UHFFFAOYSA-NSynonyms
492429-45-53(3BROMO124TRIAZOL1YL)N(24DIMETHOXYPHENYL)ADAMANTANE1CARBOXAMIDE
3(3BROMO1H124TRIAZOL1YL)N(24DIMETHOXYPHENYL)1ADAMANTANECARBOXAMIDE
3(3bromo1H124triazol1yl)N(24dimethoxyphenyl)tricyclo(3311~37~)decane1carboxamide
492429455
COC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC
InChI=1SC21H25BrN4O3c128153416(17(615)292)2418(27)20713514(820)1021(9131120)26122319(22)2526h3461214H5711H212H3(H2427)
MFCD03073778
ZINC000018172673
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