Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[(1-hydroxy-7-methoxy-9-oxo-9H-xanthen-3-yl)oxy]-N-methylacetamide
Catalog ID
STK717542
SMILES COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)OCC(=O)N(C1CCS(=O)(=O)C1)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 C21H21NO8S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO8S/c1-22(12-5-6-31(26,27)11-12)19(24)10-29-14-8-16(23)20-18(9-14)30-17-4-3-13(28-2)7-15(17)21(20)25/h3-4,7-9,12,23H,5-6,10-11H2,1-2H3InChIKey
MDCGAKPOMHEMDI-UHFFFAOYSA-NSynonyms
929856-50-8929856508
CN(C1CCS(=O)(=O)C1)C(=O)COC2=CC(=C3C(=C2)OC4=C(C3=O)C=C(C=C4)OC)O
InChI=1SC21H21NO8Sc122(125631(2627)1112)19(24)102914816(23)2018(914)30174313(282)715(17)21(20)25h34791223H561011H212H3
MFCD09846521
N(11dioxidotetrahydrothiophen3yl)2((1hydroxy7methoxy9oxo9Hxanthen3yl)oxy)Nmethylacetamide
N(11dioxothiolan3yl)2(1hydroxy7methoxy9oxoxanthen3yl)oxyNmethylacetamide
ZINC000009575905
ZINC000009575907
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