Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7-ethyl-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK532050
SMILES CCC1(C)OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccc(cc3)Cl)nnc2n(c1=O)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 C22H21ClN4O3S2 MW 489.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S2/c1-4-22(2)9-14-16(10-30-22)32-19-17(14)18(29)26(3)20-24-25-21(27(19)20)31-11-15(28)12-5-7-13(23)8-6-12/h5-8H,4,9-11H2,1-3H3InChIKey
CWRUQMQHOXOGJR-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)7ethyl47dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)7ethyl47dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C)C
InChI=1SC22H21ClN4O3S2c1422(2)91416(103022)321917(14)18(29)26(3)20242521(27(19)20)311115(28)125713(23)8612h58H4911H213H3
MFCD02241702
ZINC000001251172
ZINC000001251173
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