Vitas-M small molecule compound
methyl 3-[(4-methylbenzyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK028469
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccc(cc1)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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-11-3-5-12(6-4-11)10-18-16(20)13-7-14(17(21)24-2)9-15(8-13)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)InChIKey
OYTJEXJGIKYJJD-UHFFFAOYSA-NSynonyms
348604-27-3348604273
CC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCc1ccc(cc1)C
InChI=1SC17H16N2O5c1113512(6411)101816(20)13714(17(21)242)915(813)19(22)23h39H10H212H3(H1820)
METHYL3((4METHYLBENZYL)CARBAMOYL)5NITROBENZOATE
METHYL3((4METHYLPHENYL)METHYLCARBAMOYL)5NITROBENZOATE
METHYL5(N((4METHYLPHENYL)METHYL)CARBAMOYL)3NITROBENZOATE
MFCD01197026
STK028469
ZINC000001097986
ZINC01097986
ZINC1097986
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