Vitas-M small molecule compound

tert-butyl [(5E)-5-(3-chloro-4,5-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Catalog ID
STL388521
SMILES COc1c(Cl)cc(cc1OC)/C=C\1/SC(=O)N(C1=O)CC(=O)OC(C)(C)C

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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 C18H20ClNO6S MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClNO6S/c1-18(2,3)26-14(21)9-20-16(22)13(27-17(20)23)8-10-6-11(19)15(25-5)12(7-10)24-4/h6-8H,9H2,1-5H3/b13-8+
InChIKey
IVHNARLRMBSMDT-MDWZMJQESA-N
Synonyms

CC(C)(C)OC(=O)CN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OC)OC)SC1=O
COc1c(Cl)cc(cc1OC)C=C1SC(=O)N(C1=O)CC(=O)OC(C)(C)C
InChI=1SC18H20ClNO6Sc118(23)2614(21)92016(22)13(2717(20)23)810611(19)15(255)12(710)244h68H9H215H3b138+
MFCD07393950
tertbutyl((5E)5(3chloro45dimethoxybenzylidene)24dioxo13thiazolidin3yl)acetate
TERTBUTYL2((5E)5((3CHLORO45DIMETHOXYPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
ZINC000005007511
ZINC05007511
ZINC5007511

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Available files

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