Vitas-M small molecule compound
2-({4-[(Z)-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-(prop-2-en-1-yl)phenoxy}methyl)benzonitrile
Catalog ID
STL296810
SMILES CCCN1C(=O)S/C(=C\c2cc(OCC)c(c(c2)CC=C)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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-4-9-19-13-18(15-23-25(29)28(12-5-2)26(30)33-23)14-22(31-6-3)24(19)32-17-21-11-8-7-10-20(21)16-27/h4,7-8,10-11,13-15H,1,5-6,9,12,17H2,2-3H3/b23-15-InChIKey
NKLKMGCYBYPEPC-HAHDFKILSA-NSynonyms
2((2ALLYL4((24DIOXO3PROPYL13THIAZOLIDIN5YLIDENE)METHYL)6ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(24dioxo3propyl13thiazolidin5ylidene)methyl)2ethoxy6(prop2en1yl)phenoxy)methyl)benzonitrile
2((4((Z)(24DIOXO3PROPYL13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXY6PROP2ENYLPHENOXY)METHYL)BENZONITRILE
CCCN1C(=O)C(=CC2=CC(=C(C(=C2)OCC)OCC3=CC=CC=C3C#N)CC=C)SC1=O
CCCN1C(=O)SC(=Cc2cc(OCC)c(c(c2)CC=C)OCc2ccccc2C#N)C1=O
InChI=1SC26H26N2O4Sc149191318(152325(29)28(1252)26(30)3323)1422(3163)24(19)32172111871020(21)1627h47810111315H15691217H223H3b2315
MFCD03082547
ZINC000008438969
ZINC08438969
ZINC8438969
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