Vitas-M small molecule compound
2-{[5-(methylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Catalog ID
STK598509
SMILES CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)[N+](=O)[O-])nn2)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 C19H15N5O3S3 MW 457.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N5O3S3/c1-28-18-20-17-15(12-3-2-4-14(12)30-17)16-21-22-19(23(16)18)29-9-13(25)10-5-7-11(8-6-10)24(26)27/h5-8H,2-4,9H2,1H3InChIKey
RWIVTKIRMVSODA-UHFFFAOYSA-NSynonyms
879458-03-42((5(methylsulfanyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1(4nitrophenyl)ethanone
2((5(methylthio)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1(4nitrophenyl)ethanone
879458034
CSC1=NC2=C(C3=C(S2)CCC3)C4=NN=C(N41)SCC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
CSc1nc2sc3c(c2c2n1c(SCC(=O)c1ccc(cc1)(N+)(=O)(O))nn2)CCC3
InChI=1SC19H15N5O3S3c12818201715(1232414(12)3017)16212219(23(16)18)29913(25)105711(8610)24(26)27h58H249H21H3
MFCD03680269
ZINC000009187471
ZINC09187471
ZINC9187471
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