Vitas-M small molecule compound
N-{(2E)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}valine
Catalog ID
STK699743
SMILES CC(C(C(=O)O)NC(=O)/C(=C\c1ccc(cc1)Br)/NC(=O)c1ccccc1)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 C21H21BrN2O4 MW 445.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4/c1-13(2)18(21(27)28)24-20(26)17(12-14-8-10-16(22)11-9-14)23-19(25)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b17-12+InChIKey
MOEKOUAXLWEPGK-SFQUDFHCSA-NSynonyms
(E)2(2benzamido3(4bromophenyl)acrylamido)3methylbutanoicacid
2(((E)2BENZAMIDO3(4BROMOPHENYL)PROP2ENOYL)AMINO)3METHYLBUTANOICACID
2(2BENZOYLAMINO3(4BROMOPHENYL)ACRYLOYLAMINO)3METHYLBUTYRICACID
CC(C(C(=O)O)NC(=O)C(=Cc1ccc(cc1)Br)NC(=O)c1ccccc1)C
CC(C)C(C(=O)O)NC(=O)C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2
InChI=1SC21H21BrN2O4c113(2)18(21(27)28)2420(26)17(121481016(22)11914)2319(25)156435715h31318H12H3(H2325)(H2426)(H2728)b1712+
MFCD00699032
N((2E)3(4bromophenyl)2((phenylcarbonyl)amino)prop2enoyl)valine
ZINC000006190674
ZINC000013550477
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