Vitas-M small molecule compound

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

Catalog ID
STK531842
SMILES CCCCCCCSc1ncnc2c1sc1c2c2CCCCc2c(n1)CCC

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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 C23H31N3S2 MW 413.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N3S2/c1-3-5-6-7-10-14-27-23-21-20(24-15-25-23)19-17-13-9-8-12-16(17)18(11-4-2)26-22(19)28-21/h15H,3-14H2,1-2H3
InChIKey
UAHIETKDBUFNFR-UHFFFAOYSA-N
Synonyms

8(heptylsulfanyl)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
8(heptylthio)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCCCCCSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)CCC
InChI=1SC23H31N3S2c13567101427232120(24152523)191713981216(17)18(1142)2622(19)2821h15H314H212H3
MFCD02235573
ZINC000097950427
ZINC97950427

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Available files

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