Vitas-M small molecule compound
methyl 3-[(5-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STL260770
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1C
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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/c1-9-3-4-12(17)8-14(9)18-15(20)10-5-11(16(21)24-2)7-13(6-10)19(22)23/h3-8H,1-2H3,(H,18,20)InChIKey
GBJPWDUBXWLDJS-UHFFFAOYSA-NSynonyms
349401-98-5349401985
CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1cc(Cl)ccc1C
InChI=1SC16H13ClN2O5c193412(17)814(9)1815(20)10511(16(21)242)713(610)19(22)23h38H12H3(H1820)
methyl3((5chloro2methylphenyl)carbamoyl)5nitrobenzoate
METHYL5(N(5CHLORO2METHYLPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD02006488
ZINC000000176821
ZINC00176821
ZINC176821
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