Vitas-M small molecule compound

3-[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-2H-chromen-2-one

Catalog ID
STK857444
SMILES O=c1oc2ccccc2cc1c1[nH]nc(n1)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 C17H10N4O4 MW 334.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10N4O4/c22-17-13(9-10-4-1-2-7-14(10)25-17)16-18-15(19-20-16)11-5-3-6-12(8-11)21(23)24/h1-9H,(H,18,19,20)
InChIKey
TVUXCFDUZQORSQ-UHFFFAOYSA-N
Synonyms
325804-88-4
3(3(3nitrophenyl)1H124triazol5yl)2Hchromen2one
3(3(3NITROPHENYL)1H124TRIAZOL5YL)CHROMEN2ONE
3(5(3NITROPHENYL)4H(124)TRIAZOL3YL)CHROMEN2ONE
3(5(3NITROPHENYL)4H124TRIAZOL3YL)2HCHROMEN2ONE
3(5(3NITROPHENYL)4H124TRIAZOL3YL)CHROMEN2ONE
325804884
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC17H10N4O4c221713(910412714(10)2517)161815(192016)1153612(811)21(23)24h19H(H181920)
MFCD18169794
O=c1oc2ccccc2cc1c1(nH)nc(n1)c1cccc(c1)(N+)(=O)(O)
O=c1oc2ccccc2cc1c1nnc((nH)1)c1cccc(c1)(N+)(=O)(O)
ZINC000006557808
ZINC06557808
ZINC6557808

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Available files

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