Vitas-M small molecule compound

2-(benzylsulfanyl)-7-tert-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK993127
SMILES COc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)c1CCC(Cc1s2)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 C28H30N2O2S2 MW 490.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S2/c1-28(2,3)19-10-15-22-23(16-19)34-25-24(22)26(31)30(20-11-13-21(32-4)14-12-20)27(29-25)33-17-18-8-6-5-7-9-18/h5-9,11-14,19H,10,15-17H2,1-4H3
InChIKey
KARQNMQBPQBNLE-UHFFFAOYSA-N
Synonyms

2(benzylsulfanyl)7tertbutyl3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2benzylsulfanyl7tertbutyl3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI=1SC28H30N2O2S2c128(23)1910152223(1619)342524(22)26(31)30(20111321(324)141220)27(2925)3317188657918h59111419H101517H214H3
MFCD02631105
ZINC000002115849
ZINC000002115852

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Available files

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