Vitas-M small molecule compound
methyl 3-nitro-5-[(2,4,4-trimethylpentan-2-yl)carbamoyl]benzoate
Catalog ID
STK176156
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NC(CC(C)(C)C)(C)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 C17H24N2O5 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N2O5/c1-16(2,3)10-17(4,5)18-14(20)11-7-12(15(21)24-6)9-13(8-11)19(22)23/h7-9H,10H2,1-6H3,(H,18,20)InChIKey
MINVBDPZFOVXOY-UHFFFAOYSA-NSynonyms
710977-17-6710977176
CC(C)(C)CC(C)(C)NC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NC(CC(C)(C)C)(C)C
InChI=1SC17H24N2O5c116(23)1017(45)1814(20)11712(15(21)246)913(811)19(22)23h79H10H216H3(H1820)
METHYL3NITRO5((244TRIMETHYLPENTAN2YL)CARBAMOYL)BENZOATE
METHYL3NITRO5(244TRIMETHYLPENTAN2YLCARBAMOYL)BENZOATE
MFCD05996857
ZINC000000614988
ZINC00614988
ZINC614988
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