Vitas-M small molecule compound

methyl 4-[(7,8-dimethoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)methyl]thiophene-2-carboxylate

Catalog ID
STL312605
SMILES COC(=O)c1scc(c1)Cn1ncc2c(c1=O)n(C)c1c2cc(c(c1)OC)OC

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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 C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c1-22-14-7-16(27-3)15(26-2)6-12(14)13-8-21-23(19(24)18(13)22)9-11-5-17(29-10-11)20(25)28-4/h5-8,10H,9H2,1-4H3
InChIKey
METAXFIGDXNOCL-UHFFFAOYSA-N
Synonyms
1401603-89-1
1401603891
CN1C2=CC(=C(C=C2C3=C1C(=O)N(N=C3)CC4=CSC(=C4)C(=O)OC)OC)OC
InChI=1SC20H19N3O5Sc12214716(273)15(262)612(14)1382123(19(24)18(13)22)911517(291011)20(25)284h5810H9H214H3
methyl4((78dimethoxy5methyl4oxo45dihydro3Hpyridazino(45b)indol3yl)methyl)thiophene2carboxylate
methyl4((78dimethoxy5methyl4oxopyridazino(45b)indol3yl)methyl)thiophene2carboxylate
MFCD22583579
ZINC000079483038
ZINC79483038

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Available files

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