Vitas-M small molecule compound

5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline-8(9H)-thione

Catalog ID
STK559584
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)nc[nH]c3=S)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 C17H19N3S2 MW 329.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3S2/c1-9(2)7-12-10-5-3-4-6-11(10)13-14-15(22-17(13)20-12)16(21)19-8-18-14/h8-9H,3-7H2,1-2H3,(H,18,19,21)
InChIKey
DWXHEBPSUUUWLD-UHFFFAOYSA-N
Synonyms
371132-20-6
371132206
5(2methylpropyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline8(9H)thione
CC(C)CC1=C2CCCCC2=C3C4=C(C(=S)N=CN4)SC3=N1
CC(Cc1nc2sc3c(c2c2c1CCCC2)nc(nH)c3=S)C
InChI=1SC17H19N3S2c19(2)71210534611(10)131415(2217(13)2012)16(21)1981814h89H37H212H3(H181921)
MFCD03794338
ZINC000005817376
ZINC01293932
ZINC05817376
ZINC5817376

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Available files

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