Vitas-M small molecule compound
3-{[(E)-(2,7-dimethoxynaphthalen-1-yl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL368727
SMILES COc1ccc2c(c1/C=N/n1cnc3c(c1=O)c1CCCCc1s3)cc(cc2)OC
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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 C23H21N3O3S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S/c1-28-15-9-7-14-8-10-19(29-2)18(17(14)11-15)12-25-26-13-24-22-21(23(26)27)16-5-3-4-6-20(16)30-22/h7-13H,3-6H2,1-2H3/b25-12+InChIKey
SBXJTACROCBTPJ-BRJLIKDPSA-NSynonyms
3(((E)(27dimethoxynaphthalen1yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(27dimethoxynaphthalen1yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
COC1=CC2=C(C=C1)C=CC(=C2C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5)OC
COc1ccc2c(c1C=Nn1cnc3c(c1=O)c1CCCCc1s3)cc(cc2)OC
InChI=1SC23H21N3O3Sc12815971481019(292)18(17(14)1115)12252613242221(23(26)27)16534620(16)3022h713H36H212H3b2512+
MFCD03146161
ZINC000002995839
ZINC2995838
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