Vitas-M small molecule compound

methyl 4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)benzoate

Catalog ID
STK746051
SMILES COC(=O)c1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCN(C1)C

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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 C18H19N3O3S MW 357.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3S/c1-21-8-7-12-13(9-21)25-17-14(12)16(22)19-15(20-17)10-3-5-11(6-4-10)18(23)24-2/h3-6,15,20H,7-9H2,1-2H3,(H,19,22)
InChIKey
MJTVBZTYQRRTCB-UHFFFAOYSA-N
Synonyms
353463-31-7
353463317
CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)C(=O)OC
InChI=1SC18H19N3O3Sc121871213(921)251714(12)16(22)1915(2017)103511(6410)18(23)242h361520H79H212H3(H1922)
methyl4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)benzoate
methyl4(7methyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)benzoate
MFCD03801146
ZINC000005274704
ZINC000005274705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.