Vitas-M small molecule compound
methyl 3-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}propanoate
Catalog ID
STL332687
SMILES COC(=O)CCSc1ncnc2c1sc1c2c2CCCCc2c(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 C21H24N4O3S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S2/c1-27-15(26)6-11-29-21-18-17(22-12-23-21)16-13-4-2-3-5-14(13)19(24-20(16)30-18)25-7-9-28-10-8-25/h12H,2-11H2,1H3InChIKey
VWFIJULYFPQETE-UHFFFAOYSA-NSynonyms
371137-42-7371137427
COC(=O)CCSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5
InChI=1SC21H24N4O3S2c12715(26)61129211817(22122321)1613423514(13)19(2420(16)3018)25792810825h12H211H21H3
methyl3((5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)propanoate
methyl3((5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)propanoate
MFCD03009046
ZINC000013536914
ZINC13536914
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