Vitas-M small molecule compound
1-phenyl-2-[(5-phenyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)sulfanyl]ethanone
Catalog ID
STK721267
SMILES O=C(c1ccccc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)c1ccccc1
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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 C27H21N3OS2 MW 467.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3OS2/c31-21(17-9-3-1-4-10-17)15-32-27-25-24(28-16-29-27)22-19-13-7-8-14-20(19)23(30-26(22)33-25)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2InChIKey
WUTPHJIFSSWAHQ-UHFFFAOYSA-NSynonyms
1phenyl2((5phenyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)ethanone
1phenyl2((5phenyl1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)ethanone
C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=NC=N4)SCC(=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC27H21N3OS2c3121(1793141017)1532272524(28162927)221913781420(19)23(3026(22)3325)18115261218h1691216H781315H2
MFCD02989693
ZINC000002248925
ZINC02248925
ZINC2248925
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