Vitas-M small molecule compound

6-{(3E)-3-[(4-bromophenyl)(hydroxy)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}hexanoic acid

Catalog ID
STL148241
SMILES OC(=O)CCCCCN1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc(cc2)Br)\O)/C(=O)C1=O

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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 C26H28BrNO5 MW 514.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrNO5/c1-16(2)17-7-9-18(10-8-17)23-22(24(31)19-11-13-20(27)14-12-19)25(32)26(33)28(23)15-5-3-4-6-21(29)30/h7-14,16,23,31H,3-6,15H2,1-2H3,(H,29,30)/b24-22+
InChIKey
XWBMNQNOULYUSV-ZNTNEXAZSA-N
Synonyms
500268-11-1
500268111
6((3E)3((4bromophenyl)(hydroxy)methylidene)45dioxo2(4(propan2yl)phenyl)pyrrolidin1yl)hexanoicacid
6((4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)23DIOXO5(4PROPAN2YLPHENYL)PYRROLIDIN1YL)HEXANOICACID
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCCCC(=O)O
InChI=1SC26H28BrNO5c116(2)177918(10817)2322(24(31)19111320(27)141219)25(32)26(33)28(23)15534621(29)30h714162331H3615H212H3(H2930)b2422+
MFCD03801755
OC(=O)CCCCCN1C(c2ccc(cc2)C(C)C)C(=C(c2ccc(cc2)Br)O)C(=O)C1=O
ZINC000008838300
ZINC000008838301

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Available files

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