Vitas-M small molecule compound
2-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenoxy)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK089854
SMILES O=C1N(c2cccc(c2)c2nc3c(o2)cccc3)C(=O)c2c1ccc(c2)Oc1cccc(c1)[N+](=O)[O-]
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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 C27H15N3O6 MW 477.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H15N3O6/c31-26-21-12-11-20(35-19-8-4-7-18(14-19)30(33)34)15-22(21)27(32)29(26)17-6-3-5-16(13-17)25-28-23-9-1-2-10-24(23)36-25/h1-15HInChIKey
GFFKRSXLMLSBLW-UHFFFAOYSA-NSynonyms
2(3(13BENZOXAZOL2YL)PHENYL)5(3NITROPHENOXY)1HISOINDOLE13(2H)DIONE
2(3(13BENZOXAZOL2YL)PHENYL)5(3NITROPHENOXY)ISOINDOLE13DIONE
2(3BENZOXAZOL2YLPHENYL)5(3NITROPHENOXY)BENZO(C)AZOLIDINE13DIONE
C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)OC6=CC=CC(=C6)(N+)(=O)(O)
InChI=1SC27H15N3O6c312621121120(351984718(1419)30(33)34)1522(21)27(32)29(26)1763516(1317)2528239121024(23)3625h115H
MFCD01009763
O=C1N(c2cccc(c2)c2nc3c(o2)cccc3)C(=O)c2c1ccc(c2)Oc1cccc(c1)(N+)(=O)(O)
STK089854
ZINC000001085680
ZINC01085680
ZINC1085680
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