Vitas-M small molecule compound

2-({2-[(3-methyl-4-nitrophenyl)carbonyl]hydrazinyl}carbonyl)cyclohexanecarboxylic acid

Catalog ID
STK425533
SMILES O=C(C1CCCCC1C(=O)O)NNC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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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 C16H19N3O6 MW 349.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O6/c1-9-8-10(6-7-13(9)19(24)25)14(20)17-18-15(21)11-4-2-3-5-12(11)16(22)23/h6-8,11-12H,2-5H2,1H3,(H,17,20)(H,18,21)(H,22,23)
InChIKey
BPMRHYNJSRZFHK-UHFFFAOYSA-N
Synonyms

2(((3METHYL4NITROBENZOYL)AMINO)CARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
2((2((3methyl4nitrophenyl)carbonyl)hydrazinyl)carbonyl)cyclohexanecarboxylicacid
2((2(4NITRO3METHYLBENZOYL)HYDRAZINO)CARBONYL)CYCLOHEXANECARBOXYLICACID
2(N((3METHYL4NITROPHENYL)CARBONYLAMINO)CARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC1=C(C=CC(=C1)C(=O)NNC(=O)C2CCCCC2C(=O)O)(N+)(=O)(O)
InChI=1SC16H19N3O6c19810(6713(9)19(24)25)14(20)171815(21)11423512(11)16(22)23h681112H25H21H3(H1720)(H1821)(H2223)
MFCD02375104
O=C(C1CCCCC1C(=O)O)NNC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
ZINC000000372931
ZINC000000372935

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.