Vitas-M small molecule compound
6-methoxy-3-[5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2H-chromen-2-one
Catalog ID
STK836034
SMILES COc1ccc2c(c1)cc(c(=O)o2)c1nnc([nH]1)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 C18H12N4O5 MW 364.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O5/c1-26-13-5-6-15-11(8-13)9-14(18(23)27-15)17-19-16(20-21-17)10-3-2-4-12(7-10)22(24)25/h2-9H,1H3,(H,19,20,21)InChIKey
RJRZBYCLTZQIEO-UHFFFAOYSA-NSynonyms
325804-87-3325804873
6METHOXY3(3(3NITROPHENYL)1H124TRIAZOL5YL)CHROMEN2ONE
6METHOXY3(5(3NITROPHENYL)(4H124TRIAZOL3YL))CHROMEN2ONE
6METHOXY3(5(3NITROPHENYL)4H(124)TRIAZOL3YL)CHROMEN2ONE
6methoxy3(5(3nitrophenyl)4H124triazol3yl)2Hchromen2one
COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC(=NN3)C4=CC(=CC=C4)(N+)(=O)(O)
COc1ccc2c(c1)cc(c(=O)o2)c1nnc((nH)1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H12N4O5c12613561511(813)914(18(23)2715)171916(202117)1032412(710)22(24)25h29H1H3(H192021)
MFCD01943355
ZINC000005485445
ZINC5485445
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