Vitas-M small molecule compound
8-benzyl-4-(3-methylphenyl)-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK544917
SMILES Cc1cccc(c1)n1c(=O)c2c3CCN(Cc3sc2n2c1nnc2SCC(=O)c1ccccc1)Cc1ccccc1
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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 C32H27N5O2S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N5O2S2/c1-21-9-8-14-24(17-21)36-29(39)28-25-15-16-35(18-22-10-4-2-5-11-22)19-27(25)41-30(28)37-31(36)33-34-32(37)40-20-26(38)23-12-6-3-7-13-23/h2-14,17H,15-16,18-20H2,1H3InChIKey
VFVLBOHCERVUBA-UHFFFAOYSA-NSynonyms
8benzyl1((2oxo2phenylethyl)thio)4(mtolyl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8benzyl4(3methylphenyl)1((2oxo2phenylethyl)sulfanyl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=CC=C5)SC6=C3CCN(C6)CC7=CC=CC=C7
InChI=1SC32H27N5O2S2c121981424(1721)3629(39)2825151635(1822104251122)1927(25)4130(28)3731(36)333432(37)402026(38)23126371323h21417H15161820H21H3
MFCD03303052
ZINC000053307917
ZINC53307917
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