Vitas-M small molecule compound
propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
Catalog ID
STL058567
SMILES CCCOC(=O)c1cccc(c1)NC(=O)C12CCC(C2(C)C)(C(=O)C1)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 C21H27NO4 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4/c1-5-11-26-17(24)14-7-6-8-15(12-14)22-18(25)21-10-9-20(4,16(23)13-21)19(21,2)3/h6-8,12H,5,9-11,13H2,1-4H3,(H,22,25)InChIKey
IHTLCXDXZUISPB-UHFFFAOYSA-NSynonyms
1212473-14-71212473147
CCCOC(=O)C1=CC(=CC=C1)NC(=O)C23CCC(C2(C)C)(C(=O)C3)C
InChI=1SC21H27NO4c15112617(24)1476815(1214)2218(25)2110920(416(23)1321)19(212)3h6812H591113H214H3(H2225)
MFCD03147033
PROPYL3((((1R4S)477TRIMETHYL3OXOBICYCLO(221)HEPT1YL)CARBONYL)AMINO)BENZOATE
propyl3(((477trimethyl3oxobicyclo(221)hept1yl)carbonyl)amino)benzoate
PROPYL3((177TRIMETHYL2OXOBICYCLO(221)HEPTANE4CARBONYL)AMINO)BENZOATE
propyl3((1R4S)477trimethyl3oxobicyclo(221)heptane1carboxamido)benzoate
PROPYL3((477TRIMETHYL3OXOBICYCLO(221)HEPTYL)CARBONYLAMINO)BENZOATE
ZINC000001770914
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