Vitas-M small molecule compound
2-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK315308
SMILES Clc1ccc(c(c1)Cl)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 C21H19Cl2N3O2 MW 416.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N3O2/c1-10-19(11(2)25(24-10)9-14-5-6-15(22)8-16(14)23)26-20(27)17-12-3-4-13(7-12)18(17)21(26)28/h3-6,8,12-13,17-18H,7,9H2,1-2H3InChIKey
LECBQHOVUMTYCB-UHFFFAOYSA-NSynonyms
1052559-76-81052559768
2(1(24dichlorobenzyl)35dimethyl1Hpyrazol4yl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC21H19Cl2N3O2c11019(11(2)25(2410)9145615(22)816(14)23)2620(27)17123413(712)18(17)21(26)28h36812131718H79H212H3
MFCD08557114
ZINC000102024054
ZINC000103159281
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Check stock on Vitas-MAvailable files
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