Vitas-M small molecule compound
pentyl [(4-amino-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK530243
SMILES CCCCCOC(=O)CSc1nc(N)c2c(n1)sc1c2CCC(C1)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 C21H31N3O2S2 MW 421.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O2S2/c1-5-6-7-10-26-16(25)12-27-20-23-18(22)17-14-9-8-13(21(2,3)4)11-15(14)28-19(17)24-20/h13H,5-12H2,1-4H3,(H2,22,23,24)InChIKey
KSHFTTNJLPZHDQ-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC(=C2C3=C(CC(CC3)C(C)(C)C)SC2=N1)N
InChI=1SC21H31N3O2S2c1567102616(25)1227202318(22)17149813(21(23)4)1115(14)2819(17)2420h13H512H214H3(H2222324)
MFCD02235131
pentyl((4amino7tertbutyl5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((4amino7(tertbutyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((4amino7tertbutyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
ZINC000001904083
ZINC000001904087
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