Vitas-M small molecule compound
propan-2-yl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-bromophenyl)carbonyl]amino}prop-2-enoate
Catalog ID
STK382011
SMILES CC(OC(=O)/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccc(cc1)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 C20H18BrNO5 MW 432.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO5/c1-12(2)27-20(24)16(22-19(23)14-4-6-15(21)7-5-14)9-13-3-8-17-18(10-13)26-11-25-17/h3-10,12H,11H2,1-2H3,(H,22,23)/b16-9-InChIKey
NCKMGIIRMQIDBY-SXGWCWSVSA-NSynonyms
CC(C)OC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Br
CC(OC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(cc1)Br)C
InChI=1SC20H18BrNO5c112(2)2720(24)16(2219(23)144615(21)7514)913381718(1013)26112517h31012H11H212H3(H2223)b169
METHYLETHYL3(2HBENZO(34D)13DIOXOLAN5YL)(2Z)2((4BROMOPHENYL)CARBONYLAMINO)PROP2ENOATE
MFCD03633746
propan2yl(2Z)3(13benzodioxol5yl)2(((4bromophenyl)carbonyl)amino)prop2enoate
PROPAN2YL(Z)3(13BENZODIOXOL5YL)2((4BROMOBENZOYL)AMINO)PROP2ENOATE
ZINC000015944888
ZINC15944888
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