Vitas-M small molecule compound
3-{[2-(2-methoxyphenyl)ethyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK480113
SMILES COc1ccccc1CCNC(=O)C1C2C=CC(C1C(=O)O)C2
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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/c1-23-14-5-3-2-4-11(14)8-9-19-17(20)15-12-6-7-13(10-12)16(15)18(21)22/h2-7,12-13,15-16H,8-10H2,1H3,(H,19,20)(H,21,22)InChIKey
SLNSYUDSUIAHEX-UHFFFAOYSA-NSynonyms
2(2(2METHOXYPHENYL)ETHYLCARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2(2methoxyphenyl)ethyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(2(2METHOXYPHENYL)ETHYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
COC1=CC=CC=C1CCNC(=O)C2C3CC(C2C(=O)O)C=C3
InChI=1SC18H21NO4c12314532411(14)891917(20)15126713(1012)16(15)18(21)22h2712131516H810H21H3(H1920)(H2122)
MFCD06065229
ZINC000101443293
ZINC000239203486
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