Vitas-M small molecule compound
3-[(5-carboxy-2-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK334013
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1cc(ccc1Cl)C(=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 C16H14ClNO5 MW 335.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClNO5/c17-10-4-3-9(15(20)21)6-11(10)18-14(19)12-7-1-2-8(5-7)13(12)16(22)23/h1-4,6-8,12-13H,5H2,(H,18,19)(H,20,21)(H,22,23)InChIKey
MICJCUTWMACLNE-UHFFFAOYSA-NSynonyms
2((5carboxy2chlorophenyl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((5carboxy2chlorophenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1C2C=CC1C(C2C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)C(=O)O
InChI=1SC16H14ClNO5c1710439(15(20)21)611(10)1814(19)127128(57)13(12)16(22)23h14681213H5H2(H1819)(H2021)(H2223)
MFCD09963370
ZINC000102048298
ZINC000239159555
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