Vitas-M small molecule compound
methyl 3-[(2-chlorobenzyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK159178
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccccc1Cl
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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/c1-24-16(21)12-6-11(7-13(8-12)19(22)23)15(20)18-9-10-4-2-3-5-14(10)17/h2-8H,9H2,1H3,(H,18,20)InChIKey
OYNDMKMVKFKZSW-UHFFFAOYSA-NSynonyms
564465-39-0564465390
COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=CC=C2Cl)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCc1ccccc1Cl
InChI=1SC16H13ClN2O5c12416(21)12611(713(812)19(22)23)15(20)18910423514(10)17h28H9H21H3(H1820)
METHYL3((2CHLOROBENZYL)CARBAMOYL)5NITROBENZOATE
METHYL3((2CHLOROPHENYL)METHYLCARBAMOYL)5NITROBENZOATE
METHYL5(N((2CHLOROPHENYL)METHYL)CARBAMOYL)3NITROBENZOATE
MFCD04277975
ZINC000000621565
ZINC00621565
ZINC621565
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