Vitas-M small molecule compound
3-{[(E)-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK698727
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)/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 C25H22ClN3O3S MW 479.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O3S/c1-31-21-12-17(8-11-20(21)32-14-16-6-9-18(26)10-7-16)13-28-29-15-27-24-23(25(29)30)19-4-2-3-5-22(19)33-24/h6-13,15H,2-5,14H2,1H3/b28-13+InChIKey
JUYSVHGJKHIWNV-XODNFHPESA-NSynonyms
370844-43-2(E)3((4((4chlorobenzyl)oxy)3methoxybenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(4((4chlorobenzyl)oxy)3methoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(4((4chlorophenyl)methoxy)3methoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
370844432
COC1=C(C=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OCC5=CC=C(C=C5)Cl
COc1cc(ccc1OCc1ccc(cc1)Cl)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC25H22ClN3O3Sc131211217(81120(21)3214166918(26)10716)13282915272423(25(29)30)19423522(19)3324h61315H2514H21H3b2813+
MFCD01133520
ZINC000002309695
ZINC2309694
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