Vitas-M small molecule compound

3-(3,4-dimethylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Catalog ID
STL380553
SMILES Cc1ccc(cc1C)n1c(=S)[nH]c2c(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 C18H18N2OS2 MW 342.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2OS2/c1-10-7-8-12(9-11(10)2)20-17(21)15-13-5-3-4-6-14(13)23-16(15)19-18(20)22/h7-9H,3-6H2,1-2H3,(H,19,22)
InChIKey
ZQMWJXLRSXANPU-UHFFFAOYSA-N
Synonyms
592537-72-9
3(34dimethylphenyl)2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin4one
3(34dimethylphenyl)2thioxo235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
592537729
CC1=C(C=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4)C
Cc1ccc(cc1C)n1c(=S)(nH)c2c(c1=O)c1CCCCc1s2
InChI=1SC18H18N2OS2c1107812(911(10)2)2017(21)1513534614(13)2316(15)1918(20)22h79H36H212H3(H1922)
MFCD04087059
ZINC000003886777
ZINC03886777
ZINC3886777

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Available files

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