Vitas-M small molecule compound
2-{4-[(1E)-N-{[(3-bromophenyl)carbonyl]oxy}ethanimidoyl]phenyl}hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK794583
SMILES Brc1cccc(c1)C(=O)O/N=C(/c1ccc(cc1)N1C(=O)C2C(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 C23H21BrN2O4 MW 469.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O4/c1-14(25-30-23(29)16-5-4-6-17(24)13-16)15-9-11-18(12-10-15)26-21(27)19-7-2-3-8-20(19)22(26)28/h4-6,9-13,19-20H,2-3,7-8H2,1H3/b25-14+InChIKey
QWKJCAQZSWHYMR-AFUMVMLFSA-NSynonyms
((E)1(4(13dioxo3a45677ahexahydroisoindol2yl)phenyl)ethylideneamino)3bromobenzoate
2(4((1E)N(((3bromophenyl)carbonyl)oxy)ethanimidoyl)phenyl)hexahydro1Hisoindole13(2H)dione
Brc1cccc(c1)C(=O)ON=C(c1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2)C
CC(=NOC(=O)C1=CC(=CC=C1)Br)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O
InChI=1SC23H21BrN2O4c114(253023(29)1654617(24)1316)1591118(121015)2621(27)19723820(19)22(26)28h469131920H2378H21H3b2514+
MFCD03175048
ZINC000008955701
ZINC000085376480
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