Vitas-M small molecule compound
3-[(4-chloro-3-nitrophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK440578
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)Nc1ccc(c(c1)[N+](=O)[O-])Cl
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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 C14H11ClN2O6 MW 338.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11ClN2O6/c15-7-2-1-6(5-8(7)17(21)22)16-13(18)11-9-3-4-10(23-9)12(11)14(19)20/h1-5,9-12H,(H,16,18)(H,19,20)InChIKey
OWPVEEOWFPPUHS-UHFFFAOYSA-NSynonyms
2((4CHLORO3NITROPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4chloro3nitrophenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(4CHLORO3NITROPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1=CC2C(C(C1O2)C(=O)NC3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)O
InChI=1SC14H11ClN2O6c157216(58(7)17(21)22)1613(18)1193410(239)12(11)14(19)20h15912H(H1618)(H1920)
MFCD01180062
O=C(C1C2C=CC(C1C(=O)O)O2)Nc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000222495777
ZINC000239173901
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