Vitas-M small molecule compound

4-[(4-bromo-2-{(Z)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

Catalog ID
STK042798
SMILES C#CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(cc2)C(=O)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 C21H14BrNO5S MW 472.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrNO5S/c1-2-9-23-19(24)18(29-21(23)27)11-15-10-16(22)7-8-17(15)28-12-13-3-5-14(6-4-13)20(25)26/h1,3-8,10-11H,9,12H2,(H,25,26)/b18-11-
InChIKey
VMPHHBPJTVNIHI-WQRHYEAKSA-N
Synonyms

4((2((24DIOXO3PROP2YNYL(13THIAZOLIDIN5YLIDENE))METHYL)4BROMOPHENOXY)METHYL)BENZOICACID
4((4BROMO2((Z)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((4BROMO2((Z)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C#CCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)SC1=O
C#CCN1C(=O)SC(=Cc2cc(Br)ccc2OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H14BrNO5Sc1292319(24)18(2921(23)27)11151016(22)7817(15)2812133514(6413)20(25)26h1381011H912H2(H2526)b1811
MFCD03226820
STK042798
ZINC000002990082
ZINC2990082

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Available files

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