Vitas-M small molecule compound
1-(4-bromophenyl)-2-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]ethanone
Catalog ID
STK531210
SMILES CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)c1ccc(cc1)Br
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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 C24H22BrN3OS2 MW 512.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN3OS2/c1-2-5-18-16-6-3-4-7-17(16)20-21-22(31-23(20)28-18)24(27-13-26-21)30-12-19(29)14-8-10-15(25)11-9-14/h8-11,13H,2-7,12H2,1H3InChIKey
CRKXYYPSDVZWSK-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2((5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)ethanone
1(4bromophenyl)2((5propyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)ethanone
CCCC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC(=O)C5=CC=C(C=C5)Br)SC3=N1
InChI=1SC24H22BrN3OS2c1251816634717(16)202122(3123(20)2818)24(27132621)301219(29)1481015(25)11914h81113H2712H21H3
MFCD02237685
ZINC000002295894
ZINC02295894
ZINC2295894
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