Vitas-M small molecule compound
2-chloro-4-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl 3-methoxybenzoate
Catalog ID
STK117385
SMILES COc1cccc(c1)C(=O)Oc1c(Cl)cc(cc1OC)/C=C/1\SC(=S)N(C1=O)CC
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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 C21H18ClNO5S2 MW 463.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S2/c1-4-23-19(24)17(30-21(23)29)10-12-8-15(22)18(16(9-12)27-3)28-20(25)13-6-5-7-14(11-13)26-2/h5-11H,4H2,1-3H3/b17-10-InChIKey
SHDDEKQSOGZJOD-YVLHZVERSA-NSynonyms
(2chloro4((Z)(3ethyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)6methoxyphenyl)3methoxybenzoate
2CHLORO4((Z)(3ETHYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)6METHOXYPHENYL3METHOXYBENZOATE
CCN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OC(=O)C3=CC(=CC=C3)OC)OC)SC1=S
COc1cccc(c1)C(=O)Oc1c(Cl)cc(cc1OC)C=C1SC(=S)N(C1=O)CC
InChI=1SC21H18ClNO5S2c142319(24)17(3021(23)29)1012815(22)18(16(912)273)2820(25)1365714(1113)262h511H4H213H3b1710
MFCD05976827
ZINC000012629302
ZINC12629302
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