Vitas-M small molecule compound

2-cyclohexyl-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK028008
SMILES O=C1c2cc(ccc2C(=O)N1C1CCCCC1)c1nc2ccccc2c(=O)o1

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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 C22H18N2O4 MW 374.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4/c25-20-15-11-10-13(19-23-18-9-5-4-8-16(18)22(27)28-19)12-17(15)21(26)24(20)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2
InChIKey
LGRRLFUFYLNTKJ-UHFFFAOYSA-N
Synonyms
294892-55-0
294892550
2CYCLOHEXYL5(4OXO31BENZOXAZIN2YL)ISOINDOLE13DIONE
2CYCLOHEXYL5(4OXO4H31BENZOXAZIN2YL)1HISOINDOLE13(2H)DIONE
2CYCLOHEXYL5(4OXO4HBENZO(D)(13)OXAZIN2YL)ISOINDOLE13DIONE
2cyclohexyl5(4oxo4Hbenzo(d)(13)oxazin2yl)isoindoline13dione
C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4
InChI=1SC22H18N2O4c252015111013(192318954816(18)22(27)2819)1217(15)21(26)24(20)146213714h4581214H1367H2
MFCD02032302
O=C1c2cc(ccc2C(=O)N1C1CCCCC1)c1nc2ccccc2c(=O)o1
STK028008
ZINC000001010562
ZINC01010562
ZINC1010562

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.