Vitas-M small molecule compound

3-[(5-chloro-2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK474751
SMILES O=C(C1C2CCC(C1C(=O)O)O2)Nc1cc(Cl)ccc1C

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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 C15H16ClNO4 MW 309.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16ClNO4/c1-7-2-3-8(16)6-9(7)17-14(18)12-10-4-5-11(21-10)13(12)15(19)20/h2-3,6,10-13H,4-5H2,1H3,(H,17,18)(H,19,20)
InChIKey
RBCLQHYNMDGQIU-UHFFFAOYSA-N
Synonyms

2((5CHLORO2METHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3(((5CHLORO2METHYLPHENYL)AMINO)CARBONYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
3((5chloro2methylphenyl)carbamoyl)7oxabicyclo(221)heptane2carboxylicacid
3(N(5CHLORO2METHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=C(C=C(C=C1)Cl)NC(=O)C2C3CCC(C2C(=O)O)O3
InChI=1SC15H16ClNO4c17238(16)69(7)1714(18)12104511(2110)13(12)15(19)20h2361013H45H21H3(H1718)(H1920)
MFCD06065486
ZINC000168186899
ZINC000169356286

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Available files

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