Vitas-M small molecule compound
7-chloro-N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Catalog ID
STK249044
SMILES Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)C1OC(=O)c2c(C1)ccc(c2)Cl
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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/c1-9-2-5-13(14(6-9)20(23)24)19-16(21)15-7-10-3-4-11(18)8-12(10)17(22)25-15/h2-6,8,15H,7H2,1H3,(H,19,21)InChIKey
YUQMYBKIGWFYRU-UHFFFAOYSA-NSynonyms
(7CHLORO1OXOISOCHROMAN3YL)N(4METHYL2NITROPHENYL)CARBOXAMIDE
7chloroN(4methyl2nitrophenyl)1oxo34dihydro1Hisochromene3carboxamide
7chloroN(4methyl2nitrophenyl)1oxo34dihydroisochromene3carboxamide
CC1=CC(=C(C=C1)NC(=O)C2CC3=C(C=C(C=C3)Cl)C(=O)O2)(N+)(=O)(O)
Cc1ccc(c(c1)(N+)(=O)(O))NC(=O)C1OC(=O)c2c(C1)ccc(c2)Cl
InChI=1SC17H13ClN2O5c192513(14(69)20(23)24)1916(21)157103411(18)812(10)17(22)2515h26815H7H21H3(H1921)
MFCD08568732
ZINC000008020771
ZINC000008020781
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