Vitas-M small molecule compound
3-[(4-butylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK418559
SMILES CCCCc1ccc(cc1)NC(=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 C18H21NO4 MW 315.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4/c1-2-3-4-11-5-7-12(8-6-11)19-17(20)15-13-9-10-14(23-13)16(15)18(21)22/h5-10,13-16H,2-4H2,1H3,(H,19,20)(H,21,22)InChIKey
PDBSLNJXIQZOJR-UHFFFAOYSA-NSynonyms
489409-50-92((4BUTYLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4butylphenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
489409509
CCCCC1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3
InChI=1SC18H21NO4c1234115712(8611)1917(20)151391014(2313)16(15)18(21)22h5101316H24H21H3(H1920)(H2122)
MFCD01921076
ZINC000004613845
ZINC000102173884
ZINC000239174020
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