Vitas-M small molecule compound
8-benzyl-1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-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
STK531057
SMILES Clc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCN(C3)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 C31H24ClN5O2S2 MW 598.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24ClN5O2S2/c32-22-13-11-21(12-14-22)25(38)19-40-31-34-33-30-36(23-9-5-2-6-10-23)28(39)27-24-15-16-35(17-20-7-3-1-4-8-20)18-26(24)41-29(27)37(30)31/h1-14H,15-19H2InChIKey
RENIWJJVVYCMOE-UHFFFAOYSA-NSynonyms
8benzyl1((2(4chlorophenyl)2oxoethyl)sulfanyl)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8benzyl1((2(4chlorophenyl)2oxoethyl)thio)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
C1CN(CC2=C1C3=C(S2)N4C(=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)N(C3=O)C6=CC=CC=C6)CC7=CC=CC=C7
InChI=1SC31H24ClN5O2S2c3222131121(121422)25(38)19403134333036(2395261023)28(39)2724151635(17207314820)1826(24)4129(27)37(30)31h114H1519H2
MFCD02242033
ZINC000002587528
ZINC2587528
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