Vitas-M small molecule compound
2-[(2,6-dibromo-4-{(Z)-[2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK157275
SMILES C#CCN1C(=O)S/C(=C\c2cc(Br)c(c(c2)Br)OCc2ccccc2C#N)/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 C21H12Br2N2O3S MW 532.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12Br2N2O3S/c1-2-7-25-20(26)18(29-21(25)27)10-13-8-16(22)19(17(23)9-13)28-12-15-6-4-3-5-14(15)11-24/h1,3-6,8-10H,7,12H2/b18-10-InChIKey
FDQQCVHVWPYNSH-ZDLGFXPLSA-NSynonyms
2((26DIBROMO4((Z)(24DIOXO3(PROP2YN1YL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((26DIBROMO4((Z)(24DIOXO3PROP2YNYL13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
C#CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3C#N)Br)SC1=O
C#CCN1C(=O)SC(=Cc2cc(Br)c(c(c2)Br)OCc2ccccc2C#N)C1=O
InChI=1SC21H12Br2N2O3Sc1272520(26)18(2921(25)27)1013816(22)19(17(23)913)281215643514(15)1124h136810H712H2b1810
MFCD03226971
ZINC000097960412
ZINC97960412
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