Vitas-M small molecule compound

methyl [(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate

Catalog ID
STK553863
SMILES COC(=O)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

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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 C22H17N5O2S2 MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O2S2/c1-29-15(28)10-30-22-26-25-20-19-18(23-11-27(20)22)16-13-8-5-9-14(13)17(24-21(16)31-19)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKey
XUPDCSOISVPJFQ-UHFFFAOYSA-N
Synonyms
840464-13-3
840464133
COC(=O)CSC1=NN=C2N1C=NC3=C2SC4=NC(=C5CCCC5=C34)C6=CC=CC=C6
InChI=1SC22H17N5O2S2c12915(28)1030222625201918(231127(20)22)161385914(13)17(2421(16)3119)126324712h246711H5810H21H3
methyl((10phenyl89dihydro7Hcyclopenta(45)pyrido(3245)thieno(23e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)acetate
methyl2((10phenyl89dihydro7Hcyclopenta(45)pyrido(3245)thieno(23e)(124)triazolo(43c)pyrimidin3yl)thio)acetate
MFCD04004857
ZINC000013750247
ZINC13750247

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Available files

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