Vitas-M small molecule compound
1-(benzylsulfanyl)-8-tert-butyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK698866
SMILES O=c1c2c3CCC(Cc3sc2n2c(n1c1ccccc1)nnc2SCc1ccccc1)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 C28H28N4OS2 MW 500.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4OS2/c1-28(2,3)19-14-15-21-22(16-19)35-25-23(21)24(33)31(20-12-8-5-9-13-20)26-29-30-27(32(25)26)34-17-18-10-6-4-7-11-18/h4-13,19H,14-17H2,1-3H3InChIKey
HDPGJLBTAOXMRG-UHFFFAOYSA-NSynonyms
372085-41-11(benzylsulfanyl)8tertbutyl4phenyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)8(tertbutyl)4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
372085411
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC28H28N4OS2c128(23)1914152122(1619)352523(21)24(33)31(20128591320)26293027(32(25)26)341718106471118h41319H1417H213H3
MFCD01877148
ZINC000002272359
ZINC000002272360
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