Vitas-M small molecule compound
2-benzyl-5-(5-nitro-1,3-benzoxazol-2-yl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK360550
SMILES O=C1c2cc(ccc2C(=O)N1Cc1ccccc1)c1nc2c(o1)ccc(c2)[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 C22H13N3O5 MW 399.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13N3O5/c26-21-16-8-6-14(20-23-18-11-15(25(28)29)7-9-19(18)30-20)10-17(16)22(27)24(21)12-13-4-2-1-3-5-13/h1-11H,12H2InChIKey
VUAFWSWWNOVJAG-UHFFFAOYSA-NSynonyms
2benzyl5(5nitro13benzoxazol2yl)1Hisoindole13(2H)dione
2BENZYL5(5NITRO13BENZOXAZOL2YL)ISOINDOLE13DIONE
C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C4=NC5=C(O4)C=CC(=C5)(N+)(=O)(O)
InChI=1SC22H13N3O5c2621168614(2023181115(25(28)29)7919(18)3020)1017(16)22(27)24(21)12134213513h111H12H2
MFCD06092080
O=C1c2cc(ccc2C(=O)N1Cc1ccccc1)c1nc2c(o1)ccc(c2)(N+)(=O)(O)
ZINC000002878081
ZINC02878081
ZINC2878081
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