Vitas-M small molecule compound

3,7-bis[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine

Catalog ID
STK684622
SMILES C1Oc2c(O1)ccc(c2)CSc1nnc2n1c1sc3c(c1c1n2c(SCc2ccc4c(c2)OCO4)nn1)CCC3

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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 C27H20N6O4S3 MW 588.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N6O4S3/c1-2-16-21(3-1)40-24-22(16)23-28-30-26(38-10-14-4-6-17-19(8-14)36-12-34-17)32(23)25-29-31-27(33(24)25)39-11-15-5-7-18-20(9-15)37-13-35-18/h4-9H,1-3,10-13H2
InChIKey
VXFGZKQSJRTDIP-UHFFFAOYSA-N
Synonyms

37bis((13benzodioxol5ylmethyl)sulfanyl)1112dihydro10Hcyclopenta(45)thieno(32e)bis(124)triazolo(43a43c)pyrimidine
37bis((benzo(d)(13)dioxol5ylmethyl)thio)1112dihydro10Hcyclopenta(45)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine
C1CC2=C(C1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC6=CC7=C(C=C6)OCO7)SCC8=CC9=C(C=C8)OCO9
InChI=1SC27H20N6O4S3c121621(31)402422(16)23283026(381014461719(814)36123417)32(23)25293127(33(24)25)391115571820(915)37133518h49H131013H2
MFCD03302727
ZINC000097999534

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Available files

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