Vitas-M small molecule compound

3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-(diethylamino)-2H-chromen-2-one

Catalog ID
STL000496
SMILES CCN(c1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1ccc2c(c1)OCO2)CC

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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 C23H20N2O4S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4S/c1-3-25(4-2)16-7-5-15-9-17(23(26)29-20(15)11-16)22-24-18(12-30-22)14-6-8-19-21(10-14)28-13-27-19/h5-12H,3-4,13H2,1-2H3
InChIKey
PIAHDCBCBKGJEM-UHFFFAOYSA-N
Synonyms
799773-13-0
3(4(13benzodioxol5yl)13thiazol2yl)7(diethylamino)2Hchromen2one
3(4(13BENZODIOXOL5YL)13THIAZOL2YL)7(DIETHYLAMINO)CHROMEN2ONE
3(4(benzo(d)(13)dioxol5yl)thiazol2yl)7(diethylamino)2Hchromen2one
799773130
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5
InChI=1SC23H20N2O4Sc1325(42)167515917(23(26)2920(15)1116)222418(123022)14681921(1014)28132719h512H3413H212H3
MFCD03672513
ZINC000002206711
ZINC02206711
ZINC2206711

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Available files

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