Vitas-M small molecule compound
(3aR,7aS)-2-[1-(3-methoxybenzyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311237
SMILES COc1cccc(c1)Cn1ncc(c1)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2
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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 C19H21N3O3 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3/c1-25-15-6-4-5-13(9-15)11-21-12-14(10-20-21)22-18(23)16-7-2-3-8-17(16)19(22)24/h4-6,9-10,12,16-17H,2-3,7-8,11H2,1H3/t16-,17+InChIKey
MWABZZYVYGRUED-CALCHBBNSA-NSynonyms
1212137-06-8(3aR7aS)2(1(3methoxybenzyl)1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(1((3methoxyphenyl)methyl)pyrazol4yl)3a45677ahexahydroisoindole13dione
1212137068
COC1=CC=CC(=C1)CN2C=C(C=N2)N3C(=O)C4CCCCC4C3=O
COc1cccc(c1)Cn1ncc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2
InChI=1SC19H21N3O3c1251564513(915)11211214(102021)2218(23)16723817(16)19(22)24h46910121617H237811H21H3t1617+
MFCD04059501
ZINC000018098608
ZINC18098608
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