Vitas-M small molecule compound

(5Z)-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione

Catalog ID
STL297068
SMILES COc1cc2OCOc2cc1/C=C/1\SC(=O)N(C1=O)CC(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 C16H17NO5S MW 335.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO5S/c1-9(2)7-17-15(18)14(23-16(17)19)5-10-4-12-13(22-8-21-12)6-11(10)20-3/h4-6,9H,7-8H2,1-3H3/b14-5-
InChIKey
JZXXICBVCNZYBV-RZNTYIFUSA-N
Synonyms

(5Z)5((6methoxy13benzodioxol5yl)methylidene)3(2methylpropyl)13thiazolidine24dione
CC(C)CN1C(=O)C(=CC2=CC3=C(C=C2OC)OCO3)SC1=O
COc1cc2OCOc2cc1C=C1SC(=O)N(C1=O)CC(C)C
InChI=1SC16H17NO5Sc19(2)71715(18)14(2316(17)19)51041213(2282112)611(10)203h469H78H213H3b145
MFCD03720541
ZINC000001127295
ZINC01127295
ZINC1127295

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Available files

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