Vitas-M small molecule compound
7-ethyl-4,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-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
STK835828
SMILES CCC1(C)OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)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 C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-4-22(2)10-14-16(11-29-22)31-19-17(14)18(28)25(3)20-23-24-21(26(19)20)30-12-15(27)13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3InChIKey
KDBWIPWNXCSTNG-UHFFFAOYSA-NSynonyms
7ethyl47dimethyl1((2oxo2phenylethyl)sulfanyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
7ethyl47dimethyl1((2oxo2phenylethyl)thio)67dihydro4Hpyrano(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=CC=C5)C)C
InChI=1SC22H22N4O3S2c1422(2)101416(112922)311917(14)18(28)25(3)20232421(26(19)20)301215(27)138657913h59H41012H213H3
MFCD02236749
ZINC000001123958
ZINC000001123960
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