Vitas-M small molecule compound
6-[(4-ethoxy-2-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK442055
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)C1CC=CCC1C(=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 C16H18N2O6 MW 334.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O6/c1-2-24-10-7-8-13(14(9-10)18(22)23)17-15(19)11-5-3-4-6-12(11)16(20)21/h3-4,7-9,11-12H,2,5-6H2,1H3,(H,17,19)(H,20,21)InChIKey
YXRPEKKZQFSYDN-UHFFFAOYSA-NSynonyms
6((4ethoxy2nitrophenyl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(4ETHOXY2NITROPHENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCOC1=CC(=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)(N+)(=O)(O)
CCOc1ccc(c(c1)(N+)(=O)(O))NC(=O)C1CC=CCC1C(=O)O
InChI=1SC16H18N2O6c1224107813(14(910)18(22)23)1715(19)11534612(11)16(20)21h34791112H256H21H3(H1719)(H2021)
MFCD01349751
ZINC000004894098
ZINC000004894103
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