Vitas-M small molecule compound
3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK430365
SMILES COc1cc(Cl)c(cc1NC(=O)C1C2C=CC(C1C(=O)O)O2)OC
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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 C16H16ClNO6 MW 353.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClNO6/c1-22-11-6-8(12(23-2)5-7(11)17)18-15(19)13-9-3-4-10(24-9)14(13)16(20)21/h3-6,9-10,13-14H,1-2H3,(H,18,19)(H,20,21)InChIKey
LHMHDOPIYYXELT-UHFFFAOYSA-NSynonyms
2((4CHLORO25DIMETHOXYPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4chloro25dimethoxyphenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(4CHLORO25DIMETHOXYPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
COC1=CC(=C(C=C1NC(=O)C2C3C=CC(C2C(=O)O)O3)OC)Cl
InChI=1SC16H16ClNO6c1221168(12(232)57(11)17)1815(19)1393410(249)14(13)16(20)21h369101314H12H3(H1819)(H2021)
MFCD00594140
ZINC000225635081
ZINC000239338836
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