Vitas-M small molecule compound
methyl {[4-oxo-3-phenyl-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK532710
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c1-12(2)15-9-14-16(10-27-15)29-19-18(14)20(25)23(13-7-5-4-6-8-13)21(22-19)28-11-17(24)26-3/h4-8,12,15H,9-11H2,1-3H3InChIKey
IPNUCBYVUVCVQQ-UHFFFAOYSA-NSynonyms
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4=CC=CC=C4
InChI=1SC21H22N2O4S2c112(2)1591416(102715)291918(14)20(25)23(137546813)21(2219)281117(24)263h481215H911H213H3
methyl((4oxo3phenyl6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((4oxo3phenyl6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
methyl2((6isopropyl4oxo3phenyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
MFCD02991388
ZINC000002274255
ZINC000002274256
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