Vitas-M small molecule compound

2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetamide

Catalog ID
STL405608
SMILES CCCCn1c(SCC(=O)Nn2c(C)nc3c(c2=O)c2CCCc2s3)nnc1c1cc(C)nc2c1c(C)nn2C

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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 C27H31N9O2S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N9O2S2/c1-6-7-11-35-23(18-12-14(2)28-24-21(18)15(3)32-34(24)5)30-31-27(35)39-13-20(37)33-36-16(4)29-25-22(26(36)38)17-9-8-10-19(17)40-25/h12H,6-11,13H2,1-5H3,(H,33,37)
InChIKey
HPKRPITZXJXKCJ-UHFFFAOYSA-N
Synonyms
938020-04-3
2((4butyl5(136trimethyl1Hpyrazolo(34b)pyridin4yl)4H124triazol3yl)sulfanyl)N(2methyl4oxo67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)acetamide
2((4butyl5(136trimethylpyrazolo(34b)pyridin4yl)124triazol3yl)sulfanyl)N(3methyl1oxo78dihydro6Hcyclopenta(23)thieno(24d)pyrimidin2yl)acetamide
938020043
CCCCN1C(=NN=C1SCC(=O)NN2C(=NC3=C(C2=O)C4=C(S3)CCC4)C)C5=CC(=NC6=C5C(=NN6C)C)C
InChI=1SC27H31N9O2S2c167113523(181214(2)282421(18)15(3)3234(24)5)303127(35)391320(37)333616(4)292522(26(36)38)17981019(17)4025h12H61113H215H3(H3337)
MFCD08556668
ZINC000098046239
ZINC98046239

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Available files

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