Vitas-M small molecule compound
(2-ethoxy-4-{(Z)-[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenoxy)acetonitrile
Catalog ID
STK125497
SMILES CCOc1cc(ccc1OCC#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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-2-27-17-11-14(7-8-16(17)28-10-9-22)12-24-25-13-23-20-19(21(25)26)15-5-3-4-6-18(15)29-20/h7-8,11-13H,2-6,10H2,1H3/b24-12-InChIKey
INPNEHNWHSVHQJ-MSXFZWOLSA-NSynonyms
(2ethoxy4((Z)((4oxo5678tetrahydro(1)benzothieno(23d)pyrimidin3(4H)yl)imino)methyl)phenoxy)acetonitrile
2(2ethoxy4((Z)(4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin3yl)iminomethyl)phenoxy)acetonitrile
CCOC1=C(C=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OCC#N
CCOc1cc(ccc1OCC#N)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC21H20N4O3Sc1227171114(7816(17)2810922)12242513232019(21(25)26)15534618(15)2920h781113H2610H21H3b2412
MFCD07546382
ZINC000030759552
ZINC06595602
ZINC6595602
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