Vitas-M small molecule compound
N-(2-chloro-5-nitrophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Catalog ID
STL017432
SMILES Clc1ccc(cc1NC(=O)C1(C)OC(=O)c2c(C1)cccc2)[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 C17H13ClN2O5 MW 360.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O5/c1-17(9-10-4-2-3-5-12(10)15(21)25-17)16(22)19-14-8-11(20(23)24)6-7-13(14)18/h2-8H,9H2,1H3,(H,19,22)InChIKey
JDHYBGVGYLRVLP-UHFFFAOYSA-NSynonyms
CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))Cl
Clc1ccc(cc1NC(=O)C1(C)OC(=O)c2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC17H13ClN2O5c117(910423512(10)15(21)2517)16(22)1914811(20(23)24)6713(14)18h28H9H21H3(H1922)
MFCD05847553
N(2CHLORO5NITROPHENYL)(3METHYL1OXOISOCHROMAN3YL)CARBOXAMIDE
N(2chloro5nitrophenyl)3methyl1oxo34dihydro1Hisochromene3carboxamide
N(2CHLORO5NITROPHENYL)3METHYL1OXO4HISOCHROMENE3CARBOXAMIDE
ZINC000004539887
ZINC000004539888
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