Vitas-M small molecule compound
N-(2-methoxy-5-methylphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Catalog ID
STK316741
SMILES COc1ccc(cc1NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)[N+](=O)[O-])C
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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 C21H25N5O4 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4/c1-13-3-4-17(30-2)16(5-13)23-18(27)20-7-14-6-15(8-20)10-21(9-14,11-20)25-12-22-19(24-25)26(28)29/h3-5,12,14-15H,6-11H2,1-2H3,(H,23,27)InChIKey
WVWMMHDSSLGIRX-UHFFFAOYSA-NSynonyms
515123-27-03(3NITRO1H124TRIAZOL1YL)N(2METHOXY5METHYLPHENYL)1ADAMANTANECARBOXAMIDE
515123270
CC1=CC(=C(C=C1)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)(N+)(=O)(O)
COc1ccc(cc1NC(=O)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)(N+)(=O)(O))C
InChI=1SC21H25N5O4c1133417(302)16(513)2318(27)20714615(820)1021(9141120)25122219(2425)26(28)29h35121415H611H212H3(H2327)
MFCD03758213
N(2METHOXY5METHYLPHENYL)3(3NITRO124TRIAZOL1YL)ADAMANTANE1CARBOXAMIDE
N(2methoxy5methylphenyl)3(3nitro1H124triazol1yl)tricyclo(3311~37~)decane1carboxamide
ZINC000018172626
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