Vitas-M small molecule compound
methyl {[3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK830928
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCCC3
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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 C20H20N2O3S2 MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3S2/c1-12-7-3-5-9-14(12)22-19(24)17-13-8-4-6-10-15(13)27-18(17)21-20(22)26-11-16(23)25-2/h3,5,7,9H,4,6,8,10-11H2,1-2H3InChIKey
MQHNCQZOSBQHMH-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCCC4
InChI=1SC20H20N2O3S2c112735914(12)2219(24)17138461015(13)2718(17)2120(22)261116(23)252h3579H4681011H212H3
methyl((3(2methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3(2methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((4oxo3(otolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
MFCD02990990
ZINC000000986199
ZINC00986199
ZINC986199
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