Vitas-M small molecule compound

5-butyl-8-(methylsulfanyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STK833090
SMILES CCCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC

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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 C18H21N3S2 MW 343.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3S2/c1-3-4-9-13-11-7-5-6-8-12(11)14-15-16(23-17(14)21-13)18(22-2)20-10-19-15/h10H,3-9H2,1-2H3
InChIKey
KWTNLTXGLNJMBB-UHFFFAOYSA-N
Synonyms
372504-79-5
372504795
5butyl8(methylsulfanyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
5butyl8(methylthio)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SC)SC3=N1
InChI=1SC18H21N3S2c13491311756812(11)141516(2317(14)2113)18(222)20101915h10H39H212H3
MFCD01944385
ZINC000002277786
ZINC02277786
ZINC2277786

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Available files

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