Vitas-M small molecule compound
(3aR,7aS)-2-[1-(3,4-dimethoxybenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311302
SMILES COc1cc(ccc1OC)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 C22H27N3O4 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4/c1-13-20(25-21(26)16-7-5-6-8-17(16)22(25)27)14(2)24(23-13)12-15-9-10-18(28-3)19(11-15)29-4/h9-11,16-17H,5-8,12H2,1-4H3/t16-,17+InChIKey
XGPYDDDYXAJWSJ-CALCHBBNSA-NSynonyms
1212092-31-3(3aR7aS)2(1((34dimethoxyphenyl)methyl)35dimethylpyrazol4yl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(1(34dimethoxybenzyl)35dimethyl1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
1212092313
CC1=C(C(=NN1CC2=CC(=C(C=C2)OC)OC)C)N3C(=O)C4CCCCC4C3=O
COc1cc(ccc1OC)Cn1nc(c(c1C)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2)C
InChI=1SC22H27N3O4c11320(2521(26)16756817(16)22(25)27)14(2)24(2313)121591018(283)19(1115)294h9111617H5812H214H3t1617+
MFCD04059948
ZINC000017081280
ZINC17081280
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