Vitas-M small molecule compound
2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK531569
SMILES O=C(c1ccccc1)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
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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 C25H24N4O2S2 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O2S2/c30-19(16-6-2-1-3-7-16)14-32-25-22-21(26-15-27-25)20-17-8-4-5-9-18(17)23(28-24(20)33-22)29-10-12-31-13-11-29/h1-3,6-7,15H,4-5,8-14H2InChIKey
VYOIVEQBGUAATB-UHFFFAOYSA-NSynonyms
2((5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)1phenylethanone
2((5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)1phenylethanone
C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=NC=N4)SCC(=O)C5=CC=CC=C5)N6CCOCC6
InChI=1SC25H24N4O2S2c3019(166213716)1432252221(26152725)2017845918(17)23(2824(20)3322)29101231131129h136715H45814H2
MFCD02998414
ZINC000020025668
ZINC20025668
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