Vitas-M small molecule compound
5-(methylsulfanyl)-3-[(4-nitrobenzyl)sulfanyl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK557450
SMILES CSc1nc2sc3c(c2c2n1c(SCc1ccc(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 C18H15N5O2S3 MW 429.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O2S3/c1-26-17-19-16-14(12-3-2-4-13(12)28-16)15-20-21-18(22(15)17)27-9-10-5-7-11(8-6-10)23(24)25/h5-8H,2-4,9H2,1H3InChIKey
CELLOLMLMMUUKD-UHFFFAOYSA-NSynonyms
578750-23-95(methylsulfanyl)3((4nitrobenzyl)sulfanyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidine
5(methylthio)3((4nitrobenzyl)thio)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidine
578750239
CSC1=NC2=C(C3=C(S2)CCC3)C4=NN=C(N41)SCC5=CC=C(C=C5)(N+)(=O)(O)
CSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)(N+)(=O)(O))nn2)CCC3
InChI=1SC18H15N5O2S3c12617191614(1232413(12)2816)15202118(22(15)17)279105711(8610)23(24)25h58H249H21H3
MFCD04025474
ZINC000001862261
ZINC01862261
ZINC1862261
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