Vitas-M small molecule compound

8-benzyl-1-[(2-methylprop-2-en-1-yl)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
STK531116
SMILES CC(=C)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 C27H25N5OS2 MW 499.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS2/c1-18(2)17-34-27-29-28-26-31(20-11-7-4-8-12-20)24(33)23-21-13-14-30(15-19-9-5-3-6-10-19)16-22(21)35-25(23)32(26)27/h3-12H,1,13-17H2,2H3
InChIKey
GKARKFNMWDPYHG-UHFFFAOYSA-N
Synonyms

8benzyl1((2methylallyl)thio)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8benzyl1((2methylprop2en1yl)sulfanyl)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2C6=CC=CC=C6
InChI=1SC27H25N5OS2c118(2)17342729282631(20117481220)24(33)2321131430(151995361019)1622(21)3525(23)32(26)27h312H11317H22H3
MFCD02242495
ZINC000019947584
ZINC19947584

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Available files

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