Vitas-M small molecule compound

2-methoxy-4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate

Catalog ID
STK702313
SMILES COc1cc(ccc1OC(=O)/C=C/c1ccc(cc1)OC)/C=C/1\SC(=S)N(C1=O)CC1CCCO1

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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 C26H25NO6S2 MW 511.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6S2/c1-30-19-9-5-17(6-10-19)8-12-24(28)33-21-11-7-18(14-22(21)31-2)15-23-25(29)27(26(34)35-23)16-20-4-3-13-32-20/h5-12,14-15,20H,3-4,13,16H2,1-2H3/b12-8+,23-15-
InChIKey
NJSAIEZYGYMNSV-WJVSXQMQSA-N
Synonyms

(2METHOXY4((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)(E)3(4METHOXYPHENYL)PROP2ENOATE
(E)2methoxy4((Z)(4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)phenyl3(4methoxyphenyl)acrylate
2methoxy4((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)phenyl(2E)3(4methoxyphenyl)prop2enoate
COC1=CC=C(C=C1)C=CC(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4CCCO4)OC
COc1cc(ccc1OC(=O)C=Cc1ccc(cc1)OC)C=C1SC(=S)N(C1=O)CC1CCCO1
InChI=1SC26H25NO6S2c130199517(61019)81224(28)332111718(1422(21)312)152325(29)27(26(34)3523)162043133220h512141520H341316H212H3b128+2315
MFCD02991402
ZINC000013801248
ZINC000013801251

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.