Vitas-M small molecule compound

methyl (4-{(E)-[3-(butan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-chloro-6-methoxyphenoxy)acetate

Catalog ID
STK157441
SMILES COC(=O)COc1c(Cl)cc(cc1OC)/C=C\1/SC(=O)N(C1=O)C(CC)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/c1-5-10(2)20-17(22)14(27-18(20)23)8-11-6-12(19)16(13(7-11)24-3)26-9-15(21)25-4/h6-8,10H,5,9H2,1-4H3/b14-8+
InChIKey
JZCRFHDDIYZLQG-RIYZIHGNSA-N
Synonyms

CCC(C)N1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC(=O)OC)OC)SC1=O
COC(=O)COc1c(Cl)cc(cc1OC)C=C1SC(=O)N(C1=O)C(CC)C
InChI=1SC18H20ClNO6Sc1510(2)2017(22)14(2718(20)23)811612(19)16(13(711)243)26915(21)254h6810H59H214H3b148+
METHYL(4((3SECBUTYL24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)ACETATE
METHYL(4((E)(3(BUTAN2YL)24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)ACETATE
METHYL2(4((E)(3BUTAN2YL24DIOXO13THIAZOLIDIN5YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)ACETATE
MFCD03269914
ZINC000000980947
ZINC000000980949

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.