Vitas-M small molecule compound
2-{[2-ethoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl}benzonitrile
Catalog ID
STK022727
SMILES CCOc1cc(ccc1OCc1ccccc1C#N)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C26H23N3O3S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O3S/c1-2-31-21-13-16(11-12-20(21)32-15-18-8-4-3-7-17(18)14-27)24-28-25(30)23-19-9-5-6-10-22(19)33-26(23)29-24/h3-4,7-8,11-13H,2,5-6,9-10,15H2,1H3,(H,28,29,30)InChIKey
XAPHUGWPWRHMMS-UHFFFAOYSA-NSynonyms
2((2ethoxy4(4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenoxy)methyl)benzonitrile
2((2ethoxy4(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenoxy)methyl)benzonitrile
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCC5=CC=CC=C5C#N
CCOc1cc(ccc1OCc1ccccc1C#N)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC26H23N3O3Sc1231211316(111220(21)321518843717(18)1427)242825(30)23199561022(19)3326(23)2924h34781113H25691015H21H3(H282930)
MFCD03184213
STK022727
ZINC000009234955
ZINC09234955
ZINC9234955
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