Vitas-M small molecule compound

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

Catalog ID
STK721394
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SC/C=C(\Cl)/C)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 C21H24ClN3S2 MW 418.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN3S2/c1-12(2)10-16-14-6-4-5-7-15(14)17-18-19(27-20(17)25-16)21(24-11-23-18)26-9-8-13(3)22/h8,11-12H,4-7,9-10H2,1-3H3/b13-8-
InChIKey
NZCANRGMXPANCM-JYRVWZFOSA-N
Synonyms
371119-51-6
(Z)8((3chlorobut2en1yl)thio)5isobutyl1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
371119516
8(((2Z)3chlorobut2en1yl)sulfanyl)5(2methylpropyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinoline
CC(C)CC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC=C(C)Cl)SC3=N1
CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC=C(Cl)C)C
InChI=1SC21H24ClN3S2c112(2)101614645715(14)171819(2720(17)2516)21(24112318)269813(3)22h81112H47910H213H3b138
MFCD03007748
ZINC000001818405
ZINC01818405
ZINC1818405

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Available files

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