Vitas-M small molecule compound
methyl [(7-benzyl-3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK530504
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C3)Cc1ccccc1
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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 C25H29N3O3S2 MW 483.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O3S2/c1-31-21(29)16-32-25-26-23-22(24(30)28(25)18-10-6-3-7-11-18)19-12-13-27(15-20(19)33-23)14-17-8-4-2-5-9-17/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3InChIKey
UEJOSIXKRDQYFY-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5CCCCC5
InChI=1SC25H29N3O3S2c13121(29)163225262322(24(30)28(25)18106371118)19121327(1520(19)3323)14178425917h2458918H3671016H21H3
methyl((7benzyl3cyclohexyl4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((7benzyl3cyclohexyl4oxo345678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((7benzyl3cyclohexyl4oxo68dihydro5Hpyrido(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
MFCD01558607
ZINC000019940094
ZINC19940094
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