Vitas-M small molecule compound
3-[(3,4-dimethoxyphenyl)sulfonyl]-6-nitro-2H-chromen-2-one
Catalog ID
STL167858
SMILES COc1cc(ccc1OC)S(=O)(=O)c1cc2cc(ccc2oc1=O)[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 C17H13NO8S MW 391.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO8S/c1-24-14-6-4-12(9-15(14)25-2)27(22,23)16-8-10-7-11(18(20)21)3-5-13(10)26-17(16)19/h3-9H,1-2H3InChIKey
WPCKZCAIQRTZRN-UHFFFAOYSA-NSynonyms
3((34dimethoxyphenyl)sulfonyl)6nitro2Hchromen2one
3(34DIMETHOXYPHENYL)SULFONYL6NITROCHROMEN2ONE
COC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(C=CC(=C3)(N+)(=O)(O))OC2=O)OC
COc1cc(ccc1OC)S(=O)(=O)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
InChI=1SC17H13NO8Sc124146412(915(14)252)27(2223)16810711(18(20)21)3513(10)2617(16)19h39H12H3
MFCD05899573
ZINC000002689584
ZINC2689584
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