Vitas-M small molecule compound
methyl 3-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-4-methylbenzoate
Catalog ID
STL285348
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])C
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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 C16H13ClN2O5 MW 348.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O5/c1-9-3-4-10(16(21)24-2)7-14(9)18-15(20)12-6-5-11(19(22)23)8-13(12)17/h3-8H,1-2H3,(H,18,20)InChIKey
LKYYDNVQCWPUFX-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))Cl
COC(=O)c1ccc(c(c1)NC(=O)c1ccc(cc1Cl)(N+)(=O)(O))C
InChI=1SC16H13ClN2O5c193410(16(21)242)714(9)1815(20)126511(19(22)23)813(12)17h38H12H3(H1820)
methyl3(((2chloro4nitrophenyl)carbonyl)amino)4methylbenzoate
METHYL3((2CHLORO4NITROBENZOYL)AMINO)4METHYLBENZOATE
MFCD05429953
ZINC000004840741
ZINC04840741
ZINC4840741
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