Vitas-M small molecule compound

ethyl {[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}(phenyl)acetate

Catalog ID
STK539371
SMILES CCOC(=O)C(c1ccccc1)Sc1ncnc2c1sc1c2c2CCCCc2c(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 C27H28N4O3S2 MW 520.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S2/c1-2-34-27(32)22(17-8-4-3-5-9-17)35-26-23-21(28-16-29-26)20-18-10-6-7-11-19(18)24(30-25(20)36-23)31-12-14-33-15-13-31/h3-5,8-9,16,22H,2,6-7,10-15H2,1H3
InChIKey
XAYKYLGPHGMGIH-UHFFFAOYSA-N
Synonyms
384794-12-1
384794121
CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NC3=C2SC4=NC(=C5CCCCC5=C34)N6CCOCC6
ethyl((5(morpholin4yl)1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)sulfanyl)(phenyl)acetate
ethyl2((5morpholino1234tetrahydropyrimido(4545)thieno(23c)isoquinolin8yl)thio)2phenylacetate
InChI=1SC27H28N4O3S2c123427(32)22(178435917)35262321(28162926)201810671119(18)24(3025(20)3623)31121433151331h35891622H2671015H21H3
MFCD03284074
ZINC000020057581
ZINC000020057583

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Available files

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