Vitas-M small molecule compound
1-(4-fluorophenyl)-2-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}ethanone
Catalog ID
STL226990
SMILES CC(Cc1nc2sc3c(c2c2c1CCCC2)ncnc3SCC(=O)c1ccc(cc1)F)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 C25H24FN3OS2 MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3OS2/c1-14(2)11-19-17-5-3-4-6-18(17)21-22-23(32-24(21)29-19)25(28-13-27-22)31-12-20(30)15-7-9-16(26)10-8-15/h7-10,13-14H,3-6,11-12H2,1-2H3InChIKey
SJOIOCKWFTYPSS-UHFFFAOYSA-NSynonyms
497868-23-21(4fluorophenyl)2((5(2methylpropyl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)ethanone
1(4fluorophenyl)2((5isobutyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)ethanone
497868232
CC(C)CC1=C2CCCCC2=C3C4=C(C(=NC=N4)SCC(=O)C5=CC=C(C=C5)F)SC3=N1
InChI=1SC25H24FN3OS2c114(2)111917534618(17)212223(3224(21)2919)25(28132722)311220(30)157916(26)10815h7101314H361112H212H3
MFCD03301135
ZINC000002347132
ZINC02347132
ZINC2347132
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