Vitas-M small molecule compound

ethyl 2-(6-bromo-1,3-benzodioxol-5-yl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

Catalog ID
STK382156
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1cc2OCOc2cc1Br

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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 C19H18BrN3O5S MW 480.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O5S/c1-2-26-19(25)23-4-3-9-14(7-23)29-18-15(9)17(24)21-16(22-18)10-5-12-13(6-11(10)20)28-8-27-12/h5-6,16,22H,2-4,7-8H2,1H3,(H,21,24)
InChIKey
YQAHKMNFPCSYQI-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4Br)OCO5
ethyl2(6bromo13benzodioxol5yl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl2(6bromo13benzodioxol5yl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC19H18BrN3O5Sc122619(25)2343914(723)291815(9)17(24)2116(2218)1051213(611(10)20)2882712h561622H2478H21H3(H2124)
MFCD02915468
ZINC000008722372
ZINC000016185297

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Available files

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