Vitas-M small molecule compound
3-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-5-(2,4-dimethoxyphenyl)cyclohex-2-en-1-one
Catalog ID
STK790305
SMILES COc1ccc(c(c1)OC)C1CC(=O)C=C(C1)Nc1nonc1N
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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 C16H18N4O4 MW 330.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4/c1-22-12-3-4-13(14(8-12)23-2)9-5-10(7-11(21)6-9)18-16-15(17)19-24-20-16/h3-4,7-9H,5-6H2,1-2H3,(H2,17,19)(H,18,20)InChIKey
RZXNCCIBWIPSLE-UHFFFAOYSA-NSynonyms
1087654-68-91087654689
3((4amino125oxadiazol3yl)amino)5(24dimethoxyphenyl)cyclohex2en1one
5((4amino125oxadiazol3yl)amino)24dimethoxy16dihydro(11biphenyl)3(2H)one
COC1=CC(=C(C=C1)C2CC(=CC(=O)C2)NC3=NON=C3N)OC
InChI=1SC16H18N4O4c122123413(14(812)232)9510(711(21)69)181615(17)19242016h3479H56H212H3(H21719)(H1820)
MFCD12212065
ZINC000101617837
ZINC000101617839
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