Vitas-M small molecule compound
methyl 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}propanoate
Catalog ID
STK840386
SMILES COC(=O)C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)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 C21H24N4O3S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S2/c1-12(21(26)27-2)29-20-17-16(22-11-23-20)15-13-5-3-4-6-14(13)18(24-19(15)30-17)25-7-9-28-10-8-25/h11-12H,3-10H2,1-2H3InChIKey
KDNZPNKEXMKGCL-UHFFFAOYSA-NSynonyms
384370-56-3384370563
CC(C(=O)OC)SC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5
InChI=1SC21H24N4O3S2c112(21(26)272)29201716(22112320)1513534614(13)18(2419(15)3017)25792810825h1112H310H212H3
methyl2((5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)propanoate
methyl2((5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)propanoate
MFCD03284861
ZINC000020057744
ZINC000020057745
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