Vitas-M small molecule compound

8-benzyl-1-(butylsulfanyl)-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
STK530371
SMILES CCCCSc1nnc2n1c1sc3c(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 C27H27N5OS2 MW 501.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5OS2/c1-2-3-16-34-27-29-28-26-31(20-12-8-5-9-13-20)24(33)23-21-14-15-30(17-19-10-6-4-7-11-19)18-22(21)35-25(23)32(26)27/h4-13H,2-3,14-18H2,1H3
InChIKey
CFAKQPGPFVBZKT-UHFFFAOYSA-N
Synonyms

8benzyl1(butylsulfanyl)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8benzyl1(butylthio)4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2C6=CC=CC=C6
InChI=1SC27H27N5OS2c12316342729282631(20128591320)24(33)2321141530(1719106471119)1822(21)3525(23)32(26)27h413H231418H21H3
MFCD02236290
ZINC000019939963
ZINC19939963

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Available files

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