Vitas-M small molecule compound
2-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL397684
SMILES O=C1C2C3C=CC(C2C(=O)N1c1c(C)nn(c1C)Cc1ccccc1C)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 C22H23N3O2 MW 361.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O2/c1-12-6-4-5-7-17(12)11-24-14(3)20(13(2)23-24)25-21(26)18-15-8-9-16(10-15)19(18)22(25)27/h4-9,15-16,18-19H,10-11H2,1-3H3InChIKey
ZGORRLFBKBVABJ-UHFFFAOYSA-NSynonyms
1053067-47-21053067472
2(35DIMETHYL1(2METHYLBENZYL)1HPYRAZOL4YL)3A477ATETRAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
CC1=CC=CC=C1CN2C(=C(C(=N2)C)N3C(=O)C4C5CC(C4C3=O)C=C5)C
InChI=1SC22H23N3O2c112645717(12)112414(3)20(13(2)2324)2521(26)18158916(1015)19(18)22(25)27h4915161819H1011H213H3
MFCD08553989
ZINC000101576908
ZINC000239438973
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