Vitas-M small molecule compound
3-{[4-(butan-2-yl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK433629
SMILES CCC(c1ccc(cc1)NC(=O)C1C2C=CC(C1C(=O)O)O2)C
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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/c1-3-10(2)11-4-6-12(7-5-11)19-17(20)15-13-8-9-14(23-13)16(15)18(21)22/h4-10,13-16H,3H2,1-2H3,(H,19,20)(H,21,22)InChIKey
XJDYMPVMDYGLSM-UHFFFAOYSA-NSynonyms
2((4BUTAN2YLPHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4(butan2yl)phenyl)carbamoyl)7oxabicyclo(221)hept5ene2carboxylicacid
3(N(4(METHYLPROPYL)PHENYL)CARBAMOYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCC(C)C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3
InChI=1SC18H21NO4c1310(2)114612(7511)1917(20)15138914(2313)16(15)18(21)22h4101316H3H212H3(H1920)(H2122)
MFCD03377735
ZINC000239433212
ZINC000239433215
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