Vitas-M small molecule compound
6-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Catalog ID
STK224452
SMILES Cc1ccc2c(c1)c(=O)oc(n2)/C=C/c1cccc(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 C17H12N2O4 MW 308.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N2O4/c1-11-5-7-15-14(9-11)17(20)23-16(18-15)8-6-12-3-2-4-13(10-12)19(21)22/h2-10H,1H3/b8-6+InChIKey
XHGKXJRTEMNIOF-SOFGYWHQSA-NSynonyms
2((1E)2(3NITROPHENYL)VINYL)6METHYLBENZO(D)13OXAZIN4ONE
6METHYL2((E)2(3NITROPHENYL)ETHENYL)31BENZOXAZIN4ONE
6methyl2((E)2(3nitrophenyl)ethenyl)4H31benzoxazin4one
CC1=CC2=C(C=C1)N=C(OC2=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
Cc1ccc2c(c1)c(=O)oc(n2)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC17H12N2O4c111571514(911)17(20)2316(1815)861232413(1012)19(21)22h210H1H3b86+
MFCD03780281
ZINC000004223213
ZINC04223213
ZINC4223213
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