Vitas-M small molecule compound
(5Z)-5-[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-thiazolidine-2,4-dione
Catalog ID
STL379955
SMILES C#CCOc1c(Br)cc(cc1OC)/C=C/1\SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
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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 C22H15BrClNO6S MW 536.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrClNO6S/c1-3-4-29-20-14(23)5-12(6-18(20)28-2)7-19-21(26)25(22(27)32-19)10-13-8-16-17(9-15(13)24)31-11-30-16/h1,5-9H,4,10-11H2,2H3/b19-7-InChIKey
KXHQTJLPUGZBBX-GXHLCREISA-NSynonyms
(5Z)5((3BROMO5METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3((6CHLORO13BENZODIOXOL5YL)METHYL)13THIAZOLIDINE24DIONE
(5Z)5(3bromo5methoxy4(prop2yn1yloxy)benzylidene)3((6chloro13benzodioxol5yl)methyl)13thiazolidine24dione
5(3BROMO5METHOXY4(2PROPYNYLOXY)BENZYLIDENE)3((6CHLORO13BENZODIOXOL5YL)METHYL)13THIAZOLIDINE24DIONE
C#CCOc1c(Br)cc(cc1OC)C=C1SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC4=C(C=C3Cl)OCO4)Br)OCC#C
InChI=1SC22H15BrClNO6Sc134292014(23)512(618(20)282)71921(26)25(22(27)3219)101381617(915(13)24)31113016h159H41011H22H3b197
MFCD03865292
ZINC000002170239
ZINC02170239
ZINC2170239
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