Vitas-M small molecule compound
7,7-dimethyl-2-(methylsulfanyl)-4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium
Catalog ID
STK831068
SMILES CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC[N+](C3)(C)C
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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 C20H24N3OS2 MW 386.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N3OS2/c1-23(2)12-10-15-16(13-23)26-18-17(15)19(24)22(20(21-18)25-3)11-9-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/q+1InChIKey
UEQQAMQPUJOCSO-UHFFFAOYSA-NSynonyms
77dimethyl2(methylsulfanyl)4oxo3(2phenylethyl)345678hexahydropyrido(4345)thieno(23d)pyrimidin7ium
77dimethyl2(methylthio)4oxo3phenethyl345678hexahydropyrido(4345)thieno(23d)pyrimidin7iumiodide
77dimethyl2methylsulfanyl3(2phenylethyl)68dihydro5Hpyrido(23)thieno(24b)pyrimidin7ium4one
C(N+)1(CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SC)CCC4=CC=CC=C4)C
CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(N+)(C3)(C)C
CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(N+)(C3)(C)C(I)
InChI=1SC20H24N3OS2c123(2)12101516(1323)261817(15)19(24)22(20(2118)253)119147546814h48H913H213H3q+1
ZINC000000870352
ZINC00870352
ZINC870352
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