Vitas-M small molecule compound
2-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL403294
SMILES O=C1C2C3C=CC(C2C(=O)N1c1c(C)nn(c1C)Cc1ccccc1)C3
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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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c1-12-19(13(2)23(22-12)11-14-6-4-3-5-7-14)24-20(25)17-15-8-9-16(10-15)18(17)21(24)26/h3-9,15-18H,10-11H2,1-2H3InChIKey
GHGGJNHGLFZHJL-UHFFFAOYSA-NSynonyms
1053070-65-71053070657
2(1benzyl35dimethyl1Hpyrazol4yl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C(=NN1CC2=CC=CC=C2)C)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC21H21N3O2c11219(13(2)23(2212)11146435714)2420(25)17158916(1015)18(17)21(24)26h391518H1011H212H3
MFCD08554389
ZINC000101648358
ZINC000239305999
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