Vitas-M small molecule compound
5-nitro-2-[(4-oxo-4H-3,1-benzoxazin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STK295829
SMILES O=C1c2cc(ccc2C(=O)N1Cc1nc2ccccc2c(=O)o1)[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 C17H9N3O6 MW 351.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9N3O6/c21-15-10-6-5-9(20(24)25)7-12(10)16(22)19(15)8-14-18-13-4-2-1-3-11(13)17(23)26-14/h1-7H,8H2InChIKey
UJBFENQSEDVYEW-UHFFFAOYSA-NSynonyms
5NITRO2((4OXO31BENZOXAZIN2YL)METHYL)ISOINDOLE13DIONE
5nitro2((4oxo4H31benzoxazin2yl)methyl)1Hisoindole13(2H)dione
5NITRO2((4OXOBENZO(D)13OXAZIN2YL)METHYL)BENZO(C)AZOLIDINE13DIONE
C1=CC=C2C(=C1)C(=O)OC(=N2)CN3C(=O)C4=C(C3=O)C=C(C=C4)(N+)(=O)(O)
InChI=1SC17H9N3O6c211510659(20(24)25)712(10)16(22)19(15)8141813421311(13)17(23)2614h17H8H2
MFCD01137753
O=C1c2cc(ccc2C(=O)N1Cc1nc2ccccc2c(=O)o1)(N+)(=O)(O)
ZINC000001085698
ZINC01085698
ZINC1085698
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