Vitas-M small molecule compound
8-benzyl-1-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-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
STL441016
SMILES Cc1ccc(cc1)n1c(=O)c2c3CCN(Cc3sc2n2c1nnc2SCc1ccc(c(c1)Cl)Cl)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 C31H25Cl2N5OS2 MW 618.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25Cl2N5OS2/c1-19-7-10-22(11-8-19)37-28(39)27-23-13-14-36(16-20-5-3-2-4-6-20)17-26(23)41-29(27)38-30(37)34-35-31(38)40-18-21-9-12-24(32)25(33)15-21/h2-12,15H,13-14,16-18H2,1H3InChIKey
LHLKTEXDXPKYFQ-UHFFFAOYSA-NSynonyms
8benzyl1((34dichlorobenzyl)sulfanyl)4(4methylphenyl)6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC(=C(C=C5)Cl)Cl)SC6=C3CCN(C6)CC7=CC=CC=C7
InChI=1SC31H25Cl2N5OS2c11971022(11819)3728(39)2723131436(16205324620)1726(23)4129(27)3830(37)343531(38)40182191224(32)25(33)1521h21215H13141618H21H3
MFCD06242718
ZINC000008769491
ZINC8769491
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