Vitas-M small molecule compound

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK861794
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc4c(c3)OCO4)/C2=O)ccc1OC

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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 C21H19NO5S2 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S2/c1-24-15-5-3-13(9-17(15)25-2)7-8-22-20(23)19(29-21(22)28)11-14-4-6-16-18(10-14)27-12-26-16/h3-6,9-11H,7-8,12H2,1-2H3/b19-11-
InChIKey
XDQVYSKSEOCLCY-ODLFYWEKSA-N
Synonyms

(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)3(2(34DIMETHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(13benzodioxol5ylmethylidene)3(2(34dimethoxyphenyl)ethyl)2thioxo13thiazolidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3ccc4c(c3)OCO4)C2=O)ccc1OC
InChI=1SC21H19NO5S2c124155313(917(15)252)782220(23)19(2921(22)28)1114461618(1014)27122616h36911H7812H212H3b1911
MFCD01458913
ZINC000001192081
ZINC01192081
ZINC1192081

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Available files

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