Vitas-M small molecule compound
3-(4-ethoxyphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL380556
SMILES CCOc1ccc(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 C18H18N2O2S2 MW 358.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O2S2/c1-2-22-12-9-7-11(8-10-12)20-17(21)15-13-5-3-4-6-14(13)24-16(15)19-18(20)23/h7-10H,2-6H2,1H3,(H,19,23)InChIKey
TVVBAUVSQIVFLE-UHFFFAOYSA-NSynonyms
65234-03-93(4ethoxyphenyl)2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin4one
3(4ethoxyphenyl)2thioxo235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
65234039
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4
CCOc1ccc(cc1)n1c(=S)(nH)c2c(c1=O)c1CCCCc1s2
InChI=1SC18H18N2O2S2c1222129711(81012)2017(21)1513534614(13)2416(15)1918(20)23h710H26H21H3(H1923)
MFCD04087062
ZINC000006016493
ZINC06016493
ZINC6016493
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