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 benzoate
Catalog ID
STK701965
SMILES COc1cc(ccc1OC(=O)c1ccccc1)/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 C28H25NO6S2 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO6S2/c1-32-21-11-9-18(15-23(21)33-2)13-14-29-26(30)25(37-28(29)36)17-19-10-12-22(24(16-19)34-3)35-27(31)20-7-5-4-6-8-20/h4-12,15-17H,13-14H2,1-3H3/b25-17-InChIKey
PJCQWZOTTCKHQR-UQQQWYQISA-NSynonyms
(4((Z)(3(2(34DIMETHOXYPHENYL)ETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2METHOXYPHENYL)BENZOATE
(E)4((3(34dimethoxyphenethyl)4oxo2thioxothiazolidin5ylidene)methyl)2methoxyphenylbenzoate
4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2methoxyphenylbenzoate
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)SC2=S)OC
COc1cc(ccc1OC(=O)c1ccccc1)C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC
InChI=1SC28H25NO6S2c1322111918(1523(21)332)13142926(30)25(3728(29)36)1719101222(24(1619)343)3527(31)207546820h4121517H1314H213H3b2517
MFCD03461721
ZINC000097946358
ZINC97946358
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