Vitas-M small molecule compound
3-{[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl}-1H-isothiochromen-1-one
Catalog ID
STL561349
SMILES COc1cc(OC)ccc1C1CCCN1C(=O)c1cc2ccccc2c(=O)s1
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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 C22H21NO4S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4S/c1-26-15-9-10-17(19(13-15)27-2)18-8-5-11-23(18)21(24)20-12-14-6-3-4-7-16(14)22(25)28-20/h3-4,6-7,9-10,12-13,18H,5,8,11H2,1-2H3InChIKey
WGKNYFNJDUBGIE-UHFFFAOYSA-NSynonyms
132285428
3((2(24dimethoxyphenyl)pyrrolidin1yl)carbonyl)1Hisothiochromen1one
3(2(24dimethoxyphenyl)pyrrolidine1carbonyl)1Hisothiochromen1one
3(2(24dimethoxyphenyl)pyrrolidine1carbonyl)isothiochromen1one
InChI=1SC22H21NO4Sc1261591017(19(1315)272)18851123(18)21(24)201214634716(14)22(25)2820h3467910121318H5811H212H3
MFCD32262725
ZINC000824573261
ZINC000824573262
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