Vitas-M small molecule compound
methyl 3-[(5-chloro-2-methoxyphenyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK036305
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cc(Cl)ccc1OC
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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 C16H13ClN2O6 MW 364.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O6/c1-24-14-4-3-11(17)8-13(14)18-15(20)9-5-10(16(21)25-2)7-12(6-9)19(22)23/h3-8H,1-2H3,(H,18,20)InChIKey
LERAXSFKHRZEGP-UHFFFAOYSA-NSynonyms
313480-50-1313480501
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1cc(Cl)ccc1OC
COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
InChI=1SC16H13ClN2O6c124144311(17)813(14)1815(20)9510(16(21)252)712(69)19(22)23h38H12H3(H1820)
METHYL3((5CHLORO2METHOXYPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5CHLORO2METHOXYPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196900
STK036305
ZINC000001097967
ZINC01097967
ZINC1097967
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