Vitas-M small molecule compound
(3aR,7aS)-2-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK310940
SMILES Clc1ccc(cc1)Cn1nc(c(c1C)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2)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 C20H22ClN3O2 MW 371.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O2/c1-12-18(24-19(25)16-5-3-4-6-17(16)20(24)26)13(2)23(22-12)11-14-7-9-15(21)10-8-14/h7-10,16-17H,3-6,11H2,1-2H3/t16-,17+InChIKey
BPPXUFHOGCYPRN-CALCHBBNSA-NSynonyms
1212333-23-7(3aR7aS)2(1((4chlorophenyl)methyl)35dimethylpyrazol4yl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(1(4chlorobenzyl)35dimethyl1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
1212333237
CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)N3C(=O)C4CCCCC4C3=O
Clc1ccc(cc1)Cn1nc(c(c1C)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2)C
InChI=1SC20H22ClN3O2c11218(2419(25)16534617(16)20(24)26)13(2)23(2212)11147915(21)10814h7101617H3611H212H3t1617+
MFCD04136717
ZINC000018044283
ZINC18044283
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