Vitas-M small molecule compound

3-({(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STL444689
SMILES Clc1cccc(c1Cl)c1ccc(o1)/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 C21H15Cl2N3O2S MW 444.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2N3O2S/c22-15-6-3-5-13(19(15)23)16-9-8-12(28-16)10-25-26-11-24-20-18(21(26)27)14-4-1-2-7-17(14)29-20/h3,5-6,8-11H,1-2,4,7H2/b25-10+
InChIKey
FPDDNVARDUICGI-KIBLKLHPSA-N
Synonyms

3(((E)(5(23dichlorophenyl)furan2yl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(5(23dichlorophenyl)furan2yl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl
Clc1cccc(c1Cl)c1ccc(o1)C=Nn1cnc2c(c1=O)c1CCCCc1s2
InChI=1SC21H15Cl2N3O2Sc221563513(19(15)23)169812(2816)10252611242018(21(26)27)14412717(14)2920h356811H1247H2b2510+
MFCD01133530
ZINC000008711339
ZINC34772052

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Available files

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