Vitas-M small molecule compound
2-methylpropyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(3-bromophenyl)carbonyl]amino}prop-2-enoate
Catalog ID
STK382006
SMILES CC(COC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1cccc(c1)Br)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 C21H20BrNO5 MW 446.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO5/c1-13(2)11-26-21(25)17(23-20(24)15-4-3-5-16(22)10-15)8-14-6-7-18-19(9-14)28-12-27-18/h3-10,13H,11-12H2,1-2H3,(H,23,24)/b17-8-InChIKey
FVBPCXFIYYERRG-IUXPMGMMSA-NSynonyms
2methylpropyl(2Z)3(13benzodioxol5yl)2(((3bromophenyl)carbonyl)amino)prop2enoate
2METHYLPROPYL(Z)3(13BENZODIOXOL5YL)2((3BROMOBENZOYL)AMINO)PROP2ENOATE
CC(C)COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)Br
CC(COC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1cccc(c1)Br)C
InChI=1SC21H20BrNO5c113(2)112621(25)17(2320(24)1543516(22)1015)814671819(914)28122718h31013H1112H212H3(H2324)b178
MFCD03037058
ZINC000012656576
ZINC12656576
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