Vitas-M small molecule compound

5-(6-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-(tetrahydrofuran-2-ylmethyl)-1H-isoindole-1,3(2H)-dione

Catalog ID
STK066884
SMILES Clc1ccc2c(c1)c(=O)oc(n2)c1ccc2c(c1)C(=O)N(C2=O)CC1CCCO1

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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 C21H15ClN2O5 MW 410.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN2O5/c22-12-4-6-17-16(9-12)21(27)29-18(23-17)11-3-5-14-15(8-11)20(26)24(19(14)25)10-13-2-1-7-28-13/h3-6,8-9,13H,1-2,7,10H2
InChIKey
PXSCAAWSHCRVOZ-UHFFFAOYSA-N
Synonyms

5(6CHLORO4OXO31BENZOXAZIN2YL)2(OXOLAN2YLMETHYL)ISOINDOLE13DIONE
5(6CHLORO4OXO4H31BENZOXAZIN2YL)2((2R)TETRAHYDROFURAN2YLMETHYL)1HISOINDOLE13(2H)DIONE
5(6CHLORO4OXO4H31BENZOXAZIN2YL)2((2S)TETRAHYDROFURAN2YLMETHYL)1HISOINDOLE13(2H)DIONE
5(6CHLORO4OXO4H31BENZOXAZIN2YL)2(TETRAHYDROFURAN2YLMETHYL)1HISOINDOLE13(2H)DIONE
C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=O)O4
Clc1ccc2c(c1)c(=O)oc(n2)c1ccc2c(c1)C(=O)N(C2=O)CC1CCCO1
InChI=1SC21H15ClN2O5c2212461716(912)21(27)2918(2317)11351415(811)20(26)24(19(14)25)10132172813h368913H12710H2
MFCD02032306
STK066884
ZINC000001216972
ZINC000001216973

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Available files

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