Vitas-M small molecule compound
S-benzyl-N-{(2E)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}cysteine
Catalog ID
STL324197
SMILES Brc1ccc(cc1)/C=C(\C(=O)NC(C(=O)O)CSCc1ccccc1)/NC(=O)c1ccccc1
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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 C26H23BrN2O4S MW 539.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O4S/c27-21-13-11-18(12-14-21)15-22(28-24(30)20-9-5-2-6-10-20)25(31)29-23(26(32)33)17-34-16-19-7-3-1-4-8-19/h1-15,23H,16-17H2,(H,28,30)(H,29,31)(H,32,33)/b22-15+InChIKey
MLRGIWPUPJDYPE-PXLXIMEGSA-NSynonyms
(E)2(2benzamido3(4bromophenyl)acrylamido)3(benzylthio)propanoicacid
2(((E)2BENZAMIDO3(4BROMOPHENYL)PROP2ENOYL)AMINO)3BENZYLSULFANYLPROPANOICACID
Brc1ccc(cc1)C=C(C(=O)NC(C(=O)O)CSCc1ccccc1)NC(=O)c1ccccc1
C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3
InChI=1SC26H23BrN2O4Sc2721131118(121421)1522(2824(30)2095261020)25(31)2923(26(32)33)173416197314819h11523H1617H2(H2830)(H2931)(H3233)b2215+
MFCD01557999
SbenzylN((2E)3(4bromophenyl)2((phenylcarbonyl)amino)prop2enoyl)cysteine
ZINC000100689175
ZINC000100689177
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