Vitas-M small molecule compound
2-[(2-methoxy-4-{(Z)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK125120
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=N\n1cnc2c(c1=O)c1CCCCc1s2
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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 C26H22N4O3S MW 470.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3S/c1-32-22-12-17(10-11-21(22)33-15-19-7-3-2-6-18(19)13-27)14-29-30-16-28-25-24(26(30)31)20-8-4-5-9-23(20)34-25/h2-3,6-7,10-12,14,16H,4-5,8-9,15H2,1H3/b29-14-InChIKey
DEZBGIDJLZUNPL-NUJZUDFISA-NSynonyms
2((2methoxy4((Z)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)phenoxy)methyl)benzonitrile
2((2methoxy4((Z)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)phenoxy)methyl)benzonitrile
COC1=C(C=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OCC5=CC=CC=C5C#N
COc1cc(ccc1OCc1ccccc1C#N)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC26H22N4O3Sc132221217(101121(22)331519732618(19)1327)14293016282524(26(30)31)20845923(20)3425h236710121416H458915H21H3b2914
MFCD07546389
ZINC000009833686
ZINC09234235
ZINC9234235
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