Vitas-M small molecule compound
methyl 4-{[(2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
Catalog ID
STL058640
SMILES COC(=O)c1ccc(cc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1Br)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 C19H22BrNO4 MW 408.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrNO4/c1-17(2)18(3)9-10-19(17,13(20)14(18)22)16(24)21-12-7-5-11(6-8-12)15(23)25-4/h5-8,13H,9-10H2,1-4H3,(H,21,24)InChIKey
LOZNLSMRLOURIZ-UHFFFAOYSA-NSynonyms
CC1(C2(CCC1(C(C2=O)Br)C(=O)NC3=CC=C(C=C3)C(=O)OC)C)C
COC(=O)c1ccc(cc1)NC(=O)C12CCC(C2(C)C)(C(=O)(C@H)1Br)C
InChI=1SC19H22BrNO4c117(2)18(3)91019(1713(20)14(18)22)16(24)21127511(6812)15(23)254h5813H910H214H3(H2124)
METHYL4((((1R2R4S)2BROMO477TRIMETHYL3OXOBICYCLO(221)HEPT1YL)CARBONYL)AMINO)BENZOATE
methyl4(((2bromo477trimethyl3oxobicyclo(221)hept1yl)carbonyl)amino)benzoate
methyl4((1R2S4S)2bromo477trimethyl3oxobicyclo(221)heptane1carboxamido)benzoate
METHYL4((2BROMO477TRIMETHYL3OXOBICYCLO(221)HEPTYL)CARBONYLAMINO)BENZOATE
METHYL4((3BROMO177TRIMETHYL2OXOBICYCLO(221)HEPTANE4CARBONYL)AMINO)BENZOATE
MFCD03230869
ZINC000001819452
ZINC000016012769
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