Vitas-M small molecule compound
3-{[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STL364807
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
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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 C20H21F3N2O4 MW 410.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F3N2O4/c21-20(22,23)13-3-4-15(25-5-7-29-8-6-25)14(10-13)24-18(26)16-11-1-2-12(9-11)17(16)19(27)28/h1-4,10-12,16-17H,5-9H2,(H,24,26)(H,27,28)InChIKey
JBLIRRPOKMYFRG-UHFFFAOYSA-NSynonyms
2((2MORPHOLIN4YL5(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((2(morpholin4yl)5(trifluoromethyl)phenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC20H21F3N2O4c2120(2223)133415(2557298625)14(1013)2418(26)16111212(911)17(16)19(27)28h1410121617H59H2(H2426)(H2728)
MFCD08087803
ZINC000100650842
ZINC000239322024
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