Vitas-M small molecule compound
2-{[2-iodo-6-methoxy-4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)phenoxy]methyl}benzonitrile
Catalog ID
STK385441
SMILES COc1cc(cc(c1OCc1ccccc1C#N)I)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 C25H20IN3O3S MW 569.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20IN3O3S/c1-31-19-11-16(10-18(26)22(19)32-13-15-7-3-2-6-14(15)12-27)23-28-24(30)21-17-8-4-5-9-20(17)33-25(21)29-23/h2-3,6-7,10-11H,4-5,8-9,13H2,1H3,(H,28,29,30)InChIKey
HXBYISITXQSEHP-UHFFFAOYSA-NSynonyms
2((2iodo6methoxy4(4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenoxy)methyl)benzonitrile
2((2iodo6methoxy4(4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)phenoxy)methyl)benzonitrile
COC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)I)OCC5=CC=CC=C5C#N
COc1cc(cc(c1OCc1ccccc1C#N)I)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H20IN3O3Sc131191116(1018(26)22(19)321315732614(15)1227)232824(30)2117845920(17)3325(21)2923h23671011H458913H21H3(H282930)
MFCD01929205
ZINC000002124379
ZINC02124379
ZINC2124379
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