Vitas-M small molecule compound
3-(4-methoxyphenyl)-7-methyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK283402
SMILES C=CCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCC(C3)C
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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 C21H22N2O2S2 MW 398.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O2S2/c1-4-11-26-21-22-19-18(16-10-5-13(2)12-17(16)27-19)20(24)23(21)14-6-8-15(25-3)9-7-14/h4,6-9,13H,1,5,10-12H2,2-3H3InChIKey
HVDJXWVYUZBSHB-UHFFFAOYSA-NSynonyms
2(allylthio)3(4methoxyphenyl)7methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)7methyl2(prop2en1ylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4methoxyphenyl)7methyl2prop2enylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC=C)C4=CC=C(C=C4)OC
InChI=1SC21H22N2O2S2c14112621221918(1610513(2)1217(16)2719)20(24)23(21)146815(253)9714h46913H151012H223H3
MFCD02235065
ZINC000002293653
ZINC000002293654
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