Vitas-M small molecule compound
3-{[(E)-(3-iodo-4,5-dimethoxyphenyl)methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL296520
SMILES COc1c(I)cc(cc1OC)/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 C19H18IN3O3S MW 495.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18IN3O3S/c1-25-14-8-11(7-13(20)17(14)26-2)9-22-23-10-21-18-16(19(23)24)12-5-3-4-6-15(12)27-18/h7-10H,3-6H2,1-2H3/b22-9+InChIKey
FDUTZJKDWIVXTH-LSFURLLWSA-NSynonyms
357176-31-9(E)3((3iodo45dimethoxybenzylidene)amino)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(((E)(3iodo45dimethoxyphenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(3iodo45dimethoxyphenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
357176319
COC1=C(C(=CC(=C1)C=NN2C=NC3=C(C2=O)C4=C(S3)CCCC4)I)OC
COc1c(I)cc(cc1OC)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC19H18IN3O3Sc12514811(713(20)17(14)262)9222310211816(19(23)24)12534615(12)2718h710H36H212H3b229+
MFCD01133443
ZINC000002312035
ZINC2312034
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