Vitas-M small molecule compound
1-(benzylsulfanyl)-8-tert-butyl-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532066
SMILES O=c1c2c3CCC(Cc3sc2n2c(n1c1ccccc1C)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 C29H30N4OS2 MW 514.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4OS2/c1-18-10-8-9-13-22(18)32-25(34)24-21-15-14-20(29(2,3)4)16-23(21)36-26(24)33-27(32)30-31-28(33)35-17-19-11-6-5-7-12-19/h5-13,20H,14-17H2,1-4H3InChIKey
SZGWBTITCNOLDG-UHFFFAOYSA-NSynonyms
1(benzylsulfanyl)8tertbutyl4(2methylphenyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(benzylthio)8(tertbutyl)4(otolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=CC=C5)SC6=C3CCC(C6)C(C)(C)C
InChI=1SC29H30N4OS2c11810891322(18)3225(34)2421151420(29(23)4)1623(21)3626(24)3327(32)303128(33)351719116571219h51320H1417H214H3
MFCD02989301
ZINC000002237923
ZINC000002237925
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