Vitas-M small molecule compound

4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-ethoxyphenyl 3-methyl-1-benzofuran-2-carboxylate

Catalog ID
STK798627
SMILES CCOc1cc(ccc1OC(=O)c1oc2c(c1C)cccc2)/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC

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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 C32H29NO7S2 MW 603.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO7S2/c1-5-38-27-17-21(11-13-25(27)40-31(35)29-19(2)22-8-6-7-9-23(22)39-29)18-28-30(34)33(32(41)42-28)15-14-20-10-12-24(36-3)26(16-20)37-4/h6-13,16-18H,5,14-15H2,1-4H3/b28-18-
InChIKey
QURUWVRIANQSJW-VEILYXNESA-N
Synonyms

(4((Z)(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENYL)3METHYL1BENZOFURAN2CARBOXYLATE
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2ethoxyphenyl3methyl1benzofuran2carboxylate
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CCC3=CC(=C(C=C3)OC)OC)OC(=O)C4=C(C5=CC=CC=C5O4)C
CCOc1cc(ccc1OC(=O)c1oc2c(c1C)cccc2)C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC
InChI=1SC32H29NO7S2c1538271721(111325(27)4031(35)2919(2)22867923(22)3929)182830(34)33(32(41)4228)151420101224(363)26(1620)374h6131618H51415H214H3b2818
MFCD03462030
ZINC000097962755
ZINC97962755

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Available files

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