Vitas-M small molecule compound
methyl {[7-tert-butyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK531882
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)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 C24H28N2O3S2 MW 456.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O3S2/c1-14-8-6-7-9-17(14)26-22(28)20-16-11-10-15(24(2,3)4)12-18(16)31-21(20)25-23(26)30-13-19(27)29-5/h6-9,15H,10-13H2,1-5H3InChIKey
WUPUAGJCXNXPQX-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCC(C4)C(C)(C)C
InChI=1SC24H28N2O3S2c114867917(14)2622(28)2016111015(24(23)4)1218(16)3121(20)2523(26)301319(27)295h6915H1013H215H3
methyl((7tertbutyl3(2methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((7(tertbutyl)4oxo3(otolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
methyl2((7tertbutyl3(2methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
MFCD02992993
ZINC000001800363
ZINC000001800365
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