Vitas-M small molecule compound
3-(4-ethylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL380554
SMILES CCc1ccc(cc1)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/c1-2-11-7-9-12(10-8-11)20-17(21)15-13-5-3-4-6-14(13)23-16(15)19-18(20)22/h7-10H,2-6H2,1H3,(H,19,22)InChIKey
HVYQUPBXVZPAMW-UHFFFAOYSA-NSynonyms
3(4ethylphenyl)2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin4one
3(4ethylphenyl)2thioxo235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
CCC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4
CCc1ccc(cc1)n1c(=S)(nH)c2c(c1=O)c1CCCCc1s2
InChI=1SC18H18N2OS2c12117912(10811)2017(21)1513534614(13)2316(15)1918(20)22h710H26H21H3(H1922)
MFCD04087060
ZINC000000586394
ZINC00586394
ZINC586394
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