Vitas-M small molecule compound

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

Catalog ID
STK701963
SMILES COc1cc(ccc1OC(=O)c1cccc(c1)C)/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 C29H27NO6S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6S2/c1-18-6-5-7-21(14-18)28(32)36-23-11-9-20(16-25(23)35-4)17-26-27(31)30(29(37)38-26)13-12-19-8-10-22(33-2)24(15-19)34-3/h5-11,14-17H,12-13H2,1-4H3/b26-17-
InChIKey
QAIWDESRYNOPIV-ONUIUJJFSA-N
Synonyms

(4((Z)(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)3METHYLBENZOATE
(E)4((3(34dimethoxyphenethyl)4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl3methylbenzoate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl3methylbenzoate
CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)OC
COc1cc(ccc1OC(=O)c1cccc(c1)C)C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC
InChI=1SC29H27NO6S2c11865721(1418)28(32)362311920(1625(23)354)172627(31)30(29(37)3826)13121981022(332)24(1519)343h5111417H1213H214H3b2617
MFCD03461720
ZINC000097946357
ZINC97946357

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Available files

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