Vitas-M small molecule compound
10-(3,4-dimethoxyphenyl)-7-[3-(trifluoromethyl)phenyl]-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione
Catalog ID
STL050972
SMILES COc1cc(ccc1OC)C1C2C(Sc3c1sc(=O)[nH]3)C1CC2C2C1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F
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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 C28H23F3N2O5S2 MW 588.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23F3N2O5S2/c1-37-16-7-6-11(8-17(16)38-2)18-19-14-10-15(22(19)39-24-23(18)40-27(36)32-24)21-20(14)25(34)33(26(21)35)13-5-3-4-12(9-13)28(29,30)31/h3-9,14-15,18-22H,10H2,1-2H3,(H,32,36)InChIKey
ZRHNDXUCRVWZDY-UHFFFAOYSA-NSynonyms
10(34dimethoxyphenyl)7(3(trifluoromethyl)phenyl)34a55a8a99a10octahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindole268(7H)trione
10(34dimethoxyphenyl)7(3(trifluoromethyl)phenyl)55a8a99a10hexahydro59methanothiazolo(5456)thiopyrano(23f)isoindole268(3H4aH7H)trione
COC1=C(C=C(C=C1)C2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)C7=CC=CC(=C7)C(F)(F)F)OC
COc1cc(ccc1OC)C1C2C(Sc3c1sc(=O)(nH)3)C1CC2C2C1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F
InChI=1SC28H23F3N2O5S2c137167611(817(16)382)1819141015(22(19)392423(18)4027(36)3224)2120(14)25(34)33(26(21)35)1353412(913)28(2930)31h3914151822H10H212H3(H3236)
MFCD03677034
ZINC000238950811
ZINC000238950814
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.