Vitas-M small molecule compound
N-[(2Z)-2-{[(4-bromophenyl)carbonyl]amino}-3-phenylprop-2-enoyl]valine
Catalog ID
STK531692
SMILES CC(C(C(=O)O)NC(=O)/C(=C/c1ccccc1)/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 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(12-14-6-4-3-5-7-14)23-19(25)15-8-10-16(22)11-9-15/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b17-12-InChIKey
WKLNMKJQUZVROS-ATVHPVEESA-NSynonyms
(Z)2(2(4bromobenzamido)3phenylacrylamido)3methylbutanoicacid
2(((Z)2((4bromobenzoyl)amino)3phenylprop2enoyl)amino)3methylbutanoicacid
CC(C(C(=O)O)NC(=O)C(=Cc1ccccc1)NC(=O)c1ccc(cc1)Br)C
CC(C)C(C(=O)O)NC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br
InChI=1SC21H21BrN2O4c113(2)18(21(27)28)2420(26)17(12146435714)2319(25)1581016(22)11915h31318H12H3(H2325)(H2426)(H2728)b1712
MFCD01877003
N((2Z)2(((4bromophenyl)carbonyl)amino)3phenylprop2enoyl)valine
ZINC000002272249
ZINC000002272251
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