Vitas-M small molecule compound
2-(butylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK984206
SMILES CCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCCC3
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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 C21H24N2O2S2 MW 400.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2S2/c1-3-4-13-26-21-22-19-18(16-7-5-6-8-17(16)27-19)20(24)23(21)14-9-11-15(25-2)12-10-14/h9-12H,3-8,13H2,1-2H3InChIKey
MKPGUFWAJISHFF-UHFFFAOYSA-NSynonyms
2(butylsulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2butylsulfanyl3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)OC
InChI=1SC21H24N2O2S2c134132621221918(16756817(16)2719)20(24)23(21)1491115(252)121014h912H3813H212H3
MFCD01902218
ZINC000002179088
ZINC02179088
ZINC2179088
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