Vitas-M small molecule compound
3-[(2-ethylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK430273
SMILES CCc1ccccc1NC(=O)C1C2C=CC(C1C(=O)O)O2
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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 C16H17NO4 MW 287.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4/c1-2-9-5-3-4-6-10(9)17-15(18)13-11-7-8-12(21-11)14(13)16(19)20/h3-8,11-14H,2H2,1H3,(H,17,18)(H,19,20)InChIKey
CGXAEUHVOGPLNT-UHFFFAOYSA-NSynonyms
2((2ETHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2ethylphenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(2ETHYLPHENYLCARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3(N(2ETHYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC1=CC=CC=C1NC(=O)C2C3C=CC(C2C(=O)O)O3
InChI=1SC16H17NO4c129534610(9)1715(18)13117812(2111)14(13)16(19)20h381114H2H21H3(H1718)(H1920)
MFCD00593354
ZINC000169296919
ZINC000239030690
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