Vitas-M small molecule compound
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK152571
SMILES CCOc1cc2OCOc2cc1/C=C\1/SC(=O)N(C1=O)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 C16H13NO5S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5S/c1-3-5-17-15(18)14(23-16(17)19)7-10-6-12-13(22-9-21-12)8-11(10)20-4-2/h1,6-8H,4-5,9H2,2H3/b14-7+InChIKey
KPJRPRAPBJTOSZ-VGOFMYFVSA-NSynonyms
(5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
(5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
CCOC1=CC2=C(C=C1C=C3C(=O)N(C(=O)S3)CC#C)OCO2
CCOc1cc2OCOc2cc1C=C1SC(=O)N(C1=O)CC#C
InChI=1SC16H13NO5Sc1351715(18)14(2316(17)19)71061213(2292112)811(10)2042h168H459H22H3b147+
MFCD03716860
ZINC000002821666
ZINC02821666
ZINC2821666
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