Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-methyl-4-phenyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK524515
SMILES CN1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)c1ccccc1
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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 C25H20ClN5O2S2 MW 522.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O2S2/c1-29-12-11-18-20(13-29)35-23-21(18)22(33)30(17-5-3-2-4-6-17)24-27-28-25(31(23)24)34-14-19(32)15-7-9-16(26)10-8-15/h2-10H,11-14H2,1H3InChIKey
KAOFUVBDRFCLMA-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)8methyl4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)8methyl4phenyl6789tetrahydropyrido(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI=1SC25H20ClN5O2S2c12912111820(1329)352321(18)22(33)30(175324617)24272825(31(23)24)341419(32)157916(26)10815h210H1114H21H3
MFCD01960697
ZINC000097950369
ZINC97950369
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