Vitas-M small molecule compound
3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-1H-isothiochromen-1-one
Catalog ID
STL032728
SMILES COc1c(OC)ccc2c1c(=O)sc(c2)C(=O)N1CCCCCC1
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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 C18H21NO4S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4S/c1-22-13-8-7-12-11-14(24-18(21)15(12)16(13)23-2)17(20)19-9-5-3-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3InChIKey
ZVGIGYPSULULCS-UHFFFAOYSA-NSynonyms
627487-33-63(AZAPERHYDROEPINYLCARBONYL)78DIMETHOXYBENZO(C)THIIN1ONE
3(azepan1ylcarbonyl)78dimethoxy1Hisothiochromen1one
3(azepane1carbonyl)78dimethoxy1Hisothiochromen1one
3(AZEPANE1CARBONYL)78DIMETHOXYISOTHIOCHROMEN1ONE
627487336
COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCCCCC3)OC
InChI=1SC18H21NO4Sc1221387121114(2418(21)15(12)16(13)232)17(20)19953461019h7811H36910H212H3
MFCD05155409
ZINC000004110914
ZINC04110914
ZINC4110914
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