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 4-methylbenzoate
Catalog ID
STK701597
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)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/c1-18-5-9-21(10-6-18)28(32)36-23-12-8-20(16-25(23)35-4)17-26-27(31)30(29(37)38-26)14-13-19-7-11-22(33-2)24(15-19)34-3/h5-12,15-17H,13-14H2,1-4H3/b26-17-InChIKey
JEFDZOFAWAGQIN-ONUIUJJFSA-NSynonyms
(4((Z)(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)4METHYLBENZOATE
(E)4((3(34dimethoxyphenethyl)4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenyl4methylbenzoate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenyl4methylbenzoate
CC1=CC=C(C=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)c1ccc(cc1)C)C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC
InChI=1SC29H27NO6S2c1185921(10618)28(32)362312820(1625(23)354)172627(31)30(29(37)3826)14131971122(332)24(1519)343h5121517H1314H214H3b2617
MFCD03461547
ZINC000097946355
ZINC97946355
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