Vitas-M small molecule compound
2-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK315305
SMILES Fc1ccc(cc1)Cn1nc(c(c1C)N1C(=O)C2C(C1=O)C1CC2C=C1)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 C21H20FN3O2 MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O2/c1-11-19(12(2)24(23-11)10-13-3-7-16(22)8-4-13)25-20(26)17-14-5-6-15(9-14)18(17)21(25)27/h3-8,14-15,17-18H,9-10H2,1-2H3InChIKey
QHAMATQQPPDPAK-UHFFFAOYSA-NSynonyms
1052559-02-01052559020
2(1(4fluorobenzyl)35dimethyl1Hpyrazol4yl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC21H20FN3O2c11119(12(2)24(2311)10133716(22)8413)2520(26)17145615(914)18(17)21(25)27h3814151718H910H212H3
MFCD08557111
ZINC000102024024
ZINC000103159251
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