Vitas-M small molecule compound
3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK447946
SMILES COc1cc(CCNC(=O)C2C3C=CC(C2C(=O)O)C3)ccc1OC
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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 C19H23NO5 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5/c1-24-14-6-3-11(9-15(14)25-2)7-8-20-18(21)16-12-4-5-13(10-12)17(16)19(22)23/h3-6,9,12-13,16-17H,7-8,10H2,1-2H3,(H,20,21)(H,22,23)InChIKey
REYPTNTVIZTNMC-UHFFFAOYSA-NSynonyms
2(2(34DIMETHOXYPHENYL)ETHYLCARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2(34dimethoxyphenyl)ethyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(2(34DIMETHOXYPHENYL)ETHYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
COC1=C(C=C(C=C1)CCNC(=O)C2C3CC(C2C(=O)O)C=C3)OC
InChI=1SC19H23NO5c124146311(915(14)252)782018(21)16124513(1012)17(16)19(22)23h36912131617H7810H212H3(H2021)(H2223)
MFCD01175777
ZINC000100621803
ZINC000239402819
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