Vitas-M small molecule compound

8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline

Catalog ID
STK721430
SMILES CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SC/C=C(\Cl)/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 C20H22ClN3S2 MW 404.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3S2/c1-3-6-15-13-7-4-5-8-14(13)16-17-18(26-19(16)24-15)20(23-11-22-17)25-10-9-12(2)21/h9,11H,3-8,10H2,1-2H3/b12-9-
InChIKey
SEAQAHYCRXEQHJ-XFXZXTDPSA-N
Synonyms
370575-06-7
(Z)8((3chlorobut2en1yl)thio)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
370575067
8(((2Z)3chlorobut2en1yl)sulfanyl)5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC=C(C)Cl)SC3=N1
CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC=C(Cl)C
InChI=1SC20H22ClN3S2c1361513745814(13)161718(2619(16)2415)20(23112217)2510912(2)21h911H3810H212H3b129
MFCD03011159
ZINC000002316556
ZINC02316556
ZINC2316556

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Available files

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