Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methoxyphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722263
SMILES COc1ccccc1n1c(=O)c2c3CCCc3sc2n2c1nnc2SCC(=O)c1ccc(cc1)Cl
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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 C25H19ClN4O3S2 MW 523.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClN4O3S2/c1-33-19-7-3-2-6-17(19)29-22(32)21-16-5-4-8-20(16)35-23(21)30-24(29)27-28-25(30)34-13-18(31)14-9-11-15(26)12-10-14/h2-3,6-7,9-12H,4-5,8,13H2,1H3InChIKey
AFMXZRJMVPSILO-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)4(2methoxyphenyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)4(2methoxyphenyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
COC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Cl)SC6=C3CCC6
InChI=1SC25H19ClN4O3S2c13319732617(19)2922(32)211654820(16)3523(21)3024(29)272825(30)341318(31)1491115(26)121014h2367912H45813H21H3
MFCD02240816
ZINC000001812870
ZINC01812870
ZINC1812870
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