Vitas-M small molecule compound

3-{2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl}-6-nitro-2H-chromen-2-one

Catalog ID
STK585640
SMILES COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)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 C22H15N3O8S MW 481.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O8S/c1-30-16-6-4-12-17(18(16)31-2)21(27)33-19(12)24-22-23-14(9-34-22)13-8-10-7-11(25(28)29)3-5-15(10)32-20(13)26/h3-9,19H,1-2H3,(H,23,24)
InChIKey
IGGSTPUDZLJTTJ-UHFFFAOYSA-N
Synonyms
799770-77-7
3(2((45dimethoxy3oxo13dihydro2benzofuran1yl)amino)13thiazol4yl)6nitro2Hchromen2one
3(2((45dimethoxy3oxo13dihydroisobenzofuran1yl)amino)thiazol4yl)6nitro2Hchromen2one
3(2((45DIMETHOXY3OXO1H2BENZOFURAN1YL)AMINO)13THIAZOL4YL)6NITROCHROMEN2ONE
3(2(45DIMETHOXY3OXO13DIHYDROISOBENZOFURAN1YLAMINO)THIAZOL4YL)6NITROCHROMEN2ONE
COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC(=CS3)C4=CC5=C(C=CC(=C5)(N+)(=O)(O))OC4=O)OC
COc1c(OC)ccc2c1C(=O)OC2Nc1scc(n1)c1cc2cc(ccc2oc1=O)(N+)(=O)(O)
Registry IDs
MFCD03671582
ZINC000002204163
ZINC000002204165

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Available files

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