Vitas-M small molecule compound
7-tert-butyl-2-(heptylsulfanyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK996262
SMILES CCCCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CCC(C3)C(C)(C)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 C28H38N2O2S2 MW 498.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O2S2/c1-6-7-8-9-10-17-33-27-29-25-24(22-16-11-19(28(2,3)4)18-23(22)34-25)26(31)30(27)20-12-14-21(32-5)15-13-20/h12-15,19H,6-11,16-18H2,1-5H3InChIKey
QPIOZWNWEFEHSK-UHFFFAOYSA-NSynonyms
7tertbutyl2(heptylsulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2heptylsulfanyl3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=C(C=C4)OC
InChI=1SC28H38N2O2S2c1678910173327292524(22161119(28(23)4)1823(22)3425)26(31)30(27)20121421(325)151320h121519H6111618H215H3
MFCD02631096
ZINC000008432059
ZINC000008432060
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