Vitas-M small molecule compound

4-{(Z)-[3-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(cyclohex-3-en-1-yl)prop-2-enoate

Catalog ID
STK702279
SMILES O=C(Oc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C1CCS(=O)(=O)C1)/C=C/C1CCC=CC1

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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 C23H23NO5S3 MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO5S3/c25-21(11-8-16-4-2-1-3-5-16)29-19-9-6-17(7-10-19)14-20-22(26)24(23(30)31-20)18-12-13-32(27,28)15-18/h1-2,6-11,14,16,18H,3-5,12-13,15H2/b11-8+,20-14-
InChIKey
IMPCYPFETZEDOE-LXBAEQJTSA-N
Synonyms

(4((Z)(3(11DIOXOTHIOLAN3YL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)(E)3CYCLOHEX3EN1YLPROP2ENOATE
(E)4((E)(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxothiazolidin5ylidene)methyl)phenyl3(cyclohex3en1yl)acrylate
4((Z)(3(11dioxidotetrahydrothiophen3yl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl(2E)3(cyclohex3en1yl)prop2enoate
C1CC(CC=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)C4CCS(=O)(=O)C4
InChI=1SC23H23NO5S3c2521(118164213516)29199617(71019)142022(26)24(23(30)3120)18121332(2728)1518h12611141618H35121315H2b118+2014
MFCD03139463
O=C(Oc1ccc(cc1)C=C1SC(=S)N(C1=O)C1CCS(=O)(=O)C1)C=CC1CCC=CC1
ZINC000016115052
ZINC000016115058

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Available files

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