Vitas-M small molecule compound
(4E)-5-(3,4-dimethoxyphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enoic acid
Catalog ID
STK993198
SMILES COc1cc(/C=C/C(=O)C(=C2SCCS2)C(=O)O)ccc1OC
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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 C16H16O5S2 MW 352.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16O5S2/c1-20-12-6-4-10(9-13(12)21-2)3-5-11(17)14(15(18)19)16-22-7-8-23-16/h3-6,9H,7-8H2,1-2H3,(H,18,19)/b5-3+InChIKey
OYAWOKYKOKPMHC-HWKANZROSA-NSynonyms
(4E)5(34dimethoxyphenyl)2(13dithiolan2ylidene)3oxopent4enoicacid
(E)5(34DIMETHOXYPHENYL)2(13DITHIOLAN2YLIDENE)3OXOPENT4ENOICACID
COC1=C(C=C(C=C1)C=CC(=O)C(=C2SCCS2)C(=O)O)OC
COc1cc(C=CC(=O)C(=C2SCCS2)C(=O)O)ccc1OC
InChI=1SC16H16O5S2c120126410(913(12)212)3511(17)14(15(18)19)1622782316h369H78H212H3(H1819)b53+
MFCD06371791
ZINC000003342771
ZINC3342771
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