Vitas-M small molecule compound
2-[5-methyl-1-(2-methylbenzyl)-1H-pyrazol-3-yl]hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Catalog ID
STK311693
SMILES O=C1N(c2nn(c(c2)C)Cc2ccccc2C)C(=O)C2C1C1CCC2O1
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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 C20H21N3O3 MW 351.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3/c1-11-5-3-4-6-13(11)10-22-12(2)9-16(21-22)23-19(24)17-14-7-8-15(26-14)18(17)20(23)25/h3-6,9,14-15,17-18H,7-8,10H2,1-2H3InChIKey
KHIWWEHDGIJZCS-UHFFFAOYSA-NSynonyms
1052574-01-21052574012
2(5methyl1((2methylphenyl)methyl)pyrazol3yl)3a45677ahexahydrooctahydro1H47epoxyisoindole13dione
2(5methyl1(2methylbenzyl)1Hpyrazol3yl)hexahydro1H47epoxyisoindole13(2H)dione
CC1=CC=CC=C1CN2C(=CC(=N2)N3C(=O)C4C5CCC(C4C3=O)O5)C
InChI=1SC20H21N3O3c111534613(11)102212(2)916(2122)2319(24)17147815(2614)18(17)20(23)25h36914151718H7810H212H3
MFCD04139800
ZINC000226557526
ZINC000239331204
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