Vitas-M small molecule compound
methyl [(7-tert-butyl-3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK698848
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC(C3)C(C)(C)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 C23H32N2O3S2 MW 448.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N2O3S2/c1-23(2,3)14-10-11-16-17(12-14)30-20-19(16)21(27)25(15-8-6-5-7-9-15)22(24-20)29-13-18(26)28-4/h14-15H,5-13H2,1-4H3InChIKey
FECTWPOMXTUNFG-UHFFFAOYSA-NSynonyms
374084-11-4374084114
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4CCCCC4
InChI=1SC23H32N2O3S2c123(23)1410111617(1214)302019(16)21(27)25(158657915)22(2420)291318(26)284h1415H513H214H3
methyl((7tertbutyl3cyclohexyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((7(tertbutyl)3cyclohexyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((7tertbutyl3cyclohexyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
MFCD01897854
ZINC000002282397
ZINC000002282398
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