Vitas-M small molecule compound
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one
Catalog ID
STK364535
SMILES CCC(=O)CC(c1c(=O)sc2c(c1O)cccc2)c1ccc(cc1)[N+](=O)[O-]
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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 C20H17NO5S MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S/c1-2-14(22)11-16(12-7-9-13(10-8-12)21(25)26)18-19(23)15-5-3-4-6-17(15)27-20(18)24/h3-10,16,23H,2,11H2,1H3InChIKey
VLLMCCMUNSUBRS-UHFFFAOYSA-NSynonyms
4hydroxy3(1(4nitrophenyl)3oxopentyl)2Hthiochromen2one
CCC(=O)CC(c1c(=O)sc2c(c1O)cccc2)c1ccc(cc1)(N+)(=O)(O)
MFCD00367158
ZINC000001233079
ZINC000001233080
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