Vitas-M small molecule compound
3-{[1-(3-methoxyphenyl)ethyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL174806
SMILES COc1cccc(c1)C(NC(=O)C1C2C=CC(C1C(=O)O)C2)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/c1-10(11-4-3-5-14(9-11)23-2)19-17(20)15-12-6-7-13(8-12)16(15)18(21)22/h3-7,9-10,12-13,15-16H,8H2,1-2H3,(H,19,20)(H,21,22)InChIKey
VRRUHDHYBXPDFY-UHFFFAOYSA-NSynonyms
1052581-86-81052581868
2(1(3methoxyphenyl)ethylcarbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((1(3methoxyphenyl)ethyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
CC(C1=CC(=CC=C1)OC)NC(=O)C2C3CC(C2C(=O)O)C=C3
InChI=1SC18H21NO4c110(1143514(911)232)1917(20)15126713(812)16(15)18(21)22h3791012131516H8H212H3(H1920)(H2122)
MFCD07618129
ZINC000102439786
ZINC000245253970
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